1-methyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide

Systemtic Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide Openeye Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide CAS Name: 1-methyl-3-(4-morpholin-4-iumylmethyl)-2-sulfanylidene-5-benzimidazolesulfonamide IUPAC Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidenebenzimidazole-5-sulfonamide Traditional Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide Formula: C13H19N4O3S2+ MolecularWeight: 343.44496

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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+]3CCOCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=S)C[NH+]3CCOCC3

InChI

InChI=1S/C13H18N4O3S2/c1-15-11-3-2-10(22(14,18)19)8-12(11)17(13(15)21)9-16-4-6-20-7-5-16/h2-3,8H,4-7,9H2,1H3,(H2,14,18,19)/p+1