4-fluoranyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzenesulfonamide Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N=C1C[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)N=C1C[NH+]4CCCCC4

InChI

InChI=1S/C20H23FN4O2S/c1-24-19-10-7-16(23-28(26,27)17-8-5-15(21)6-9-17)13-18(19)22-20(24)14-25-11-3-2-4-12-25/h5-10,13,23H,2-4,11-12,14H2,1H3/p+1