Compound Identification
SMILES
[Cl-].CCC(CO)(C(=O)OC1C[NH+]2CCC1CC2)C1=CC=CC=C1
InChIKey
InChIKey=VHUWXSHTUWIYBB-UHFFFAOYSA-N
Formula
C18H26ClNO3
Mass
339.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Quinuclidines Beta hydroxy acids and derivatives Fatty acid esters Piperidines Amino acids and derivatives Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropane - Quinuclidine - Beta-hydroxy acid - Fatty acid ester - Hydroxy acid - Piperidine - Fatty acyl - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available