2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-butyl-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+]3CCCCCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C18H28N4O2S/c1-2-3-12-22-17-9-8-15(25(19,23)24)13-16(17)20-18(22)14-21-10-6-4-5-7-11-21/h8-9,13H,2-7,10-12,14H2,1H3,(H2,19,23,24)/p+1