N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H27ClN3OS+ MolecularWeight: 453.01938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3OS/c1-19-6-2-4-8-23(19)29-16-14-28(15-17-29)18-25(30)27-22-7-3-5-9-24(22)31-21-12-10-20(26)11-13-21/h2-13H,14-18H2,1H3,(H,27,30)/p+1