1-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide

Systemtic Name: 1-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide Openeye Name: 1-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide CAS Name: 1-methyl-3-(1-pyrrolidin-1-iumylmethyl)-2-sulfanylidene-5-benzimidazolesulfonamide IUPAC Name: 1-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidenebenzimidazole-5-sulfonamide Traditional Name: 1-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide Formula: C13H19N4O2S2+ MolecularWeight: 327.44556

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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+]3CCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=S)C[NH+]3CCCC3

InChI

InChI=1S/C13H18N4O2S2/c1-15-11-5-4-10(21(14,18)19)8-12(11)17(13(15)20)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H2,14,18,19)/p+1