3-[(3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexen-1-yl)azaniumyl]propanoate

Systemtic Name: 3-[(3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexen-1-yl)azaniumyl]propanoate Openeye Name: 3-[(3-oxo-5-phenyl-2-propanoyl-cyclohexen-1-yl)ammonio]propanoate CAS Name: 3-[[3-oxo-2-(1-oxopropyl)-5-phenyl-1-cyclohexenyl]ammonio]propanoate IUPAC Name: 3-[(3-oxo-5-phenyl-2-propanoylcyclohexen-1-yl)azaniumyl]propanoate Traditional Name: 3-[(3-keto-5-phenyl-2-propionyl-cyclohexen-1-yl)ammonio]propionate Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)[NH2+]CCC(=O)[O-]

Isomeric SMILES

CCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C18H21NO4/c1-2-15(20)18-14(19-9-8-17(22)23)10-13(11-16(18)21)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3,(H,22,23)