N,N-dimethyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C25H33N6O3S+ MolecularWeight: 497.63292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H32N6O3S/c1-4-13-30-22-10-9-19(35(33,34)28(2)3)16-21(22)26-24(30)17-29-14-11-18(12-15-29)31-23-8-6-5-7-20(23)27-25(31)32/h5-10,16,18H,4,11-15,17H2,1-3H3,(H,27,32)/p+1