1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Formula: C19H22FN4O3S+ MolecularWeight: 405.466383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN4O3S/c1-21-17-4-2-3-5-18(17)24(19(21)25)14-22-10-12-23(13-11-22)28(26,27)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3/p+1