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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

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