(2S)-2-[(diphenylmethyl)azaniumyl]-2-(4-methylphenyl)ethanoate

Systemtic Name: (2S)-2-[(diphenylmethyl)azaniumyl]-2-(4-methylphenyl)ethanoate Openeye Name: (2S)-2-(benzhydrylammonio)-2-(p-tolyl)acetate CAS Name: (2S)-2-[(diphenylmethyl)ammonio]-2-(4-methylphenyl)acetate IUPAC Name: (2S)-2-(benzhydrylazaniumyl)-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-(benzhydrylammonio)-2-(p-tolyl)acetate Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO2/c1-16-12-14-19(15-13-16)21(22(24)25)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20-21,23H,1H3,(H,24,25)/t21-/m0/s1