2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Formula: C22H26N5O2S2+ MolecularWeight: 456.60414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25N5O2S2/c1-26(2)31(28,29)16-7-8-17-19(13-16)24-21(23-17)14-27-11-9-15(10-12-27)22-25-18-5-3-4-6-20(18)30-22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,24)/p+1