4-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azaniumyl]butanoate

Systemtic Name: 4-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azaniumyl]butanoate Openeye Name: 4-[[2-oxo-2-(p-tolyl)ethyl]ammonio]butanoate CAS Name: 4-[[2-(4-methylphenyl)-2-oxoethyl]ammonio]butanoate IUPAC Name: 4-[[2-(4-methylphenyl)-2-oxoethyl]azaniumyl]butanoate Traditional Name: 4-[[2-keto-2-(p-tolyl)ethyl]ammonio]butyrate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-10-4-6-11(7-5-10)12(15)9-14-8-2-3-13(16)17/h4-7,14H,2-3,8-9H2,1H3,(H,16,17)