Compound Identification
SMILES
[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1
InChIKey
InChIKey=XXZSQOVSEBAPGS-UHFFFAOYSA-L
Formula
C65H82N2O18S2
Mass
1243.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Benzylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Benzylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Benzylisoquinolines
Alternative Parents
Benzenesulfonic acids and derivatives Dimethoxybenzenes Tetrahydroisoquinolines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Organosulfonic acids Tetraalkylammonium salts Sulfonyls Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic salts Organic zwitterions Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzylisoquinoline - Tetrahydroisoquinoline - Benzenesulfonate - O-dimethoxybenzene - Dimethoxybenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organonitrogen compound - Organic salt - Amine - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
External Descriptors
CHEBI:2915 : quaternary ammonium salt - organosulfonate salt