Structure Information
Structure

Compound Identification

SMILES

[Cl-].NC(=O)CC12CC[N+](CCCCCCC[C@@H]([C@H](CC3=CC=CC=C3)C(O)=O)C(O)=O)(CC1)CC2

InChIKey

InChIKey=SLETUYLPRQTZPK-BMIHBIEASA-N

Formula

C27H41ClN2O5

Mass

509.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Quinuclidine - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Fatty acid - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organic salt - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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