(2S)-2-[(3-chlorophenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(3-chlorophenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(3-chlorophenyl)methyl-methyl-ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[(3-chlorophenyl)methyl-methylammonio]-2-phenylacetate IUPAC Name: (2S)-2-[(3-chlorophenyl)methyl-methylazaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[(3-chlorobenzyl)-methyl-ammonio]-2-phenyl-acetate Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO2/c1-18(11-12-6-5-9-14(17)10-12)15(16(19)20)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,19,20)/t15-/m0/s1