(2R)-2-[(4-methylphenyl)methylazaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(4-methylphenyl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-3-phenyl-2-(p-tolylmethylammonio)propanoate CAS Name: (2R)-2-[(4-methylphenyl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(4-methylphenyl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(4-methylbenzyl)ammonio]-3-phenyl-propionate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H19NO2/c1-13-7-9-15(10-8-13)12-18-16(17(19)20)11-14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-/m1/s1