Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C[C@@H]2C3=C(OC)C(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)\C=C(/Cl)C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC.COC1=CC(C[C@@H]2C3=C(OC)C(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

InChIKey

InChIKey=CBJIFYDWMMYDQD-ARRGFAEHSA-N

Formula

C108H142Cl2N4O30

Mass

2047.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Benzylisoquinolines

Intermediate Tree Nodes

Not available

Direct Parent

Benzylisoquinolines

Alternative Parents

1-phenyltetrahydroisoquinolines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Vinylogous halides Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Enoate esters Vinyl chlorides Azacyclic compounds Chloroalkenes Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations

Molecular Framework

Not available

Substituents

Benzylisoquinoline - 1-phenyltetrahydroisoquinoline - Tetrahydroisoquinoline - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Quaternary ammonium salt - Carboxylic acid ester - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Ether - Vinyl halide - Vinyl chloride - Amine - Organic salt - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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

Not available

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