Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1N(CC[NH+](C)C)C(=O)C([O-])=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=JBDLBXQDNHNLDM-UHFFFAOYSA-N
Formula
C23H29N3O3S
Mass
427.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Aromatic monoterpenoids Monocyclic monoterpenoids Cumenes Phenylpropanes 2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Pyrroles Vinylogous acids Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Quaternary ammonium salt - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available