1-butyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C24H31N6O3S+ MolecularWeight: 483.60634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C24H30N6O3S/c1-2-3-12-29-21-9-8-18(34(25,32)33)15-20(21)26-23(29)16-28-13-10-17(11-14-28)30-22-7-5-4-6-19(22)27-24(30)31/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)(H2,25,32,33)/p+1