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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C23H31ClN3O+ MolecularWeight: 400.96474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30ClN3O/c1-18-8-11-21(24)16-22(18)27-14-12-26(13-15-27)17-23(28)25-19(2)9-10-20-6-4-3-5-7-20/h3-8,11,16,19H,9-10,12-15,17H2,1-2H3,(H,25,28)/p+1/t19-/m1/s1