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

Systemtic Name: (2S)-2-[methyl-[(4-methylphenyl)methyl]azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[methyl(p-tolylmethyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[methyl-[(4-methylphenyl)methyl]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[methyl-[(4-methylphenyl)methyl]azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[methyl-(4-methylbenzyl)ammonio]-2-phenyl-acetate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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