(2S)-2-(4-chlorophenyl)-4-[di(propan-2-yl)azaniumyl]butanoate

Systemtic Name: (2S)-2-(4-chlorophenyl)-4-[di(propan-2-yl)azaniumyl]butanoate Openeye Name: (2S)-2-(4-chlorophenyl)-4-(diisopropylammonio)butanoate CAS Name: (2S)-2-(4-chlorophenyl)-4-[di(propan-2-yl)ammonio]butanoate IUPAC Name: (2S)-2-(4-chlorophenyl)-4-[di(propan-2-yl)azaniumyl]butanoate Traditional Name: (2S)-2-(4-chlorophenyl)-4-(diisopropylammonio)butyrate Formula: C16H24ClNO2 MolecularWeight: 297.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClNO2/c1-11(2)18(12(3)4)10-9-15(16(19)20)13-5-7-14(17)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,20)/t15-/m0/s1