1-ethyl-N,N-dimethyl-2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C21H28N5O3S2+ MolecularWeight: 462.60872

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N5O3S2/c1-4-26-18-8-7-16(31(28,29)23(2)3)14-17(18)22-20(26)15-24-9-11-25(12-10-24)21(27)19-6-5-13-30-19/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1