N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-17-10-13-26(14-11-17)15-12-22-23-20-16-18(8-9-21(20)25(22)2)24-29(27,28)19-6-4-3-5-7-19/h3-9,16-17,24H,10-15H2,1-2H3/p+1