(2S)-2-(4-methylphenyl)-2-[methyl-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: (2S)-2-(4-methylphenyl)-2-[methyl-(phenylmethyl)azaniumyl]ethanoate Openeye Name: (2S)-2-[benzyl(methyl)ammonio]-2-(p-tolyl)acetate CAS Name: (2S)-2-(4-methylphenyl)-2-[methyl-(phenylmethyl)ammonio]acetate IUPAC Name: (2S)-2-[benzyl(methyl)azaniumyl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-[benzyl(methyl)ammonio]-2-(p-tolyl)acetate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)16(17(19)20)18(2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1