N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[1-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC[NH+]4CCCCC4

InChI

InChI=1S/C21H26N4O2S/c1-24-20-11-10-17(23-28(26,27)18-8-4-2-5-9-18)16-19(20)22-21(24)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16,23H,3,6-7,12-15H2,1H3/p+1