Compound Identification
SMILES
ClC1=CC=C(C[NH+]2CCC(CC2)NC(=S)NCC2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=ZXCKBQCTLQNLNB-UHFFFAOYSA-O
Formula
C21H25ClN3O2S
Mass
418.96
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Benzodioxoles Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylpiperidine - Benzodioxole - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thiourea - Azacycle - Acetal - Oxacycle - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available