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

Systemtic Name: 1-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide CAS Name: 1-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 1-methyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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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+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N(C1=S)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H20N4O2S2/c1-20-16-7-6-15(26(19,23)24)10-17(16)22(18(20)25)12-21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10H,8-9,11-12H2,1H3,(H2,19,23,24)/p+1