5-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one CAS Name: 5-methyl-6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)C)NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)C)NC(=O)N2

InChI

InChI=1S/C13H18N4O3S/c1-9-7-10-11(15-13(18)14-10)8-12(9)21(19,20)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H2,14,15,18)/p+1