(2S)-2-[(3-chlorophenyl)methylazaniumyl]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(3-chlorophenyl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[(3-chlorophenyl)methylammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[(3-chlorophenyl)methylammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[(3-chlorophenyl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-chlorobenzyl)ammonio]-3-phenyl-propionate Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO2/c17-14-8-4-7-13(9-14)11-18-15(16(19)20)10-12-5-2-1-3-6-12/h1-9,15,18H,10-11H2,(H,19,20)/t15-/m0/s1