1-butyl-N,N-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-dimethyl-3-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidenebenzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-dimethyl-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-benzimidazole-5-sulfonamide Formula: C19H31N4O2S2+ MolecularWeight: 411.60504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N(C1=S)C[NH+]3CCCCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N(C1=S)C[NH+]3CCCCC3

InChI

InChI=1S/C19H30N4O2S2/c1-4-5-13-22-17-10-9-16(27(24,25)20(2)3)14-18(17)23(19(22)26)15-21-11-7-6-8-12-21/h9-10,14H,4-8,11-13,15H2,1-3H3/p+1