1-butyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCCCC3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCCC[C@H]3C

InChI

InChI=1S/C18H28N4O2S/c1-3-4-11-22-17-9-8-15(25(19,23)24)12-16(17)20-18(22)13-21-10-6-5-7-14(21)2/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H2,19,23,24)/p+1/t14-/m1/s1