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

Systemtic Name: 4-fluoranyl-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[1-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[1-methyl-2-(2-piperidin-1-ium-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide Formula: C21H26FN4O2S+ MolecularWeight: 417.520143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O2S/c1-25-20-10-7-17(24-29(27,28)18-8-5-16(22)6-9-18)15-19(20)23-21(25)11-14-26-12-3-2-4-13-26/h5-10,15,24H,2-4,11-14H2,1H3/p+1