2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)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-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O2/c1-17-8-9-20(24)15-22(17)27-12-10-26(11-13-27)16-23(29)25-21(18(2)28)14-19-6-4-3-5-7-19/h3-9,15,21H,10-14,16H2,1-2H3,(H,25,29)/p+1/t21-/m1/s1