(3S)-4-azaniumyl-3-(4-methylphenyl)butanoate

Systemtic Name: (3S)-4-azaniumyl-3-(4-methylphenyl)butanoate Openeye Name: (3S)-4-azaniumyl-3-(p-tolyl)butanoate CAS Name: (3S)-4-ammonio-3-(4-methylphenyl)butanoate IUPAC Name: (3S)-4-azaniumyl-3-(4-methylphenyl)butanoate Traditional Name: (3S)-4-ammonio-3-(p-tolyl)butyrate Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)[O-])C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)[O-])C[NH3+]

InChI

InChI=1S/C11H15NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1