1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-sulfonamide

Systemtic Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-sulfonamide Openeye Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-benzimidazole-5-sulfonamide CAS Name: 1-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-5-benzimidazolesulfonamide IUPAC Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenebenzimidazole-5-sulfonamide Traditional Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-benzimidazole-5-sulfonamide Formula: C18H24N6O2S2+2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H22N6O2S2/c1-21-15-6-5-14(28(19,25)26)12-16(15)24(18(21)27)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H2,19,25,26)/p+2