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

Systemtic Name: (3S)-3-azaniumyl-3-(4-methylphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(p-tolyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-methylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(p-tolyl)propionate Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1