N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]methanesulfonamide

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]methanesulfonamide Openeye Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]methanesulfonamide CAS Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]methanesulfonamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]methanesulfonamide Traditional Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]methanesulfonamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H29N5O2S/c1-17-4-7-19(8-5-17)27-14-12-26(13-15-27)11-10-22-23-20-16-18(24-30(3,28)29)6-9-21(20)25(22)2/h4-9,16,24H,10-15H2,1-3H3/p+1