1-methyl-2-methylsulfanyl-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide

Systemtic Name: 1-methyl-2-methylsulfanyl-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide Openeye Name: 1-methyl-2-methylsulfanyl-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide CAS Name: 1-methyl-2-(methylthio)-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide IUPAC Name: 1-methyl-2-methylsulfanyl-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide Traditional Name: 1-methyl-2-(methylthio)-N-propyl-3H-benzimidazol-1-ium-5-sulfonamide Formula: C12H18N3O2S2+ MolecularWeight: 300.42022

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC2=C(C=C1)[N+](=C(N2)SC)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC2=C(C=C1)[N+](=C(N2)SC)C

InChI

InChI=1S/C12H17N3O2S2/c1-4-7-13-19(16,17)9-5-6-11-10(8-9)14-12(18-3)15(11)2/h5-6,8,13H,4,7H2,1-3H3/p+1