(2R)-2-[(4-chlorophenyl)methyl-methyl-azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(4-chlorophenyl)methyl-methyl-azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(4-chlorophenyl)methyl-methyl-ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(4-chlorophenyl)methyl-methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(4-chlorophenyl)methyl-methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(4-chlorobenzyl)-methyl-ammonio]-3-phenyl-propionate Formula: C17H18ClNO2 MolecularWeight: 303.78332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO2/c1-19(12-14-7-9-15(18)10-8-14)16(17(20)21)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,21)/t16-/m1/s1