N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-(o-tolyl)-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-N-(o-tolyl)methanesulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O3S/c1-17-5-3-4-6-19(17)24(28(2,26)27)16-20(25)23-13-11-22(12-14-23)15-18-7-9-21-10-8-18/h3-10H,11-16H2,1-2H3/p+1