1-butyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-3-4-9-22-17-6-5-15(25(19,23)24)12-16(17)20-18(22)13-21-10-7-14(2)8-11-21/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,19,23,24)/p+1