Compound Identification
SMILES
CCOC1=CC=C(C=C1)[C@@H]1[NH2+]CCC2=CC(OCC)=C(OCC)C=C12
InChIKey
InChIKey=BITGIXSXFHMOBA-NRFANRHFSA-O
Formula
C21H28NO3
Mass
342.458
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrahydroisoquinolines
- Subclass 1-phenyltetrahydroisoquinolines
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Class
Tetrahydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Subclass
1-phenyltetrahydroisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
1-phenyltetrahydroisoquinolines
Alternative Parents
Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Quaternary ammonium salts Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenyltetrahydroisoquinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Ether - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety.
External Descriptors
Not available