2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-propyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1-benzyl-2-keto-propyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(CC3=CC=CC=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)C)C

InChI

InChI=1S/C24H31N3O2/c1-18-8-7-11-23(19(18)2)27-14-12-26(13-15-27)17-24(29)25-22(20(3)28)16-21-9-5-4-6-10-21/h4-11,22H,12-17H2,1-3H3,(H,25,29)/p+1/t22-/m1/s1