1-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazol-2-one Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-methyl-benzimidazol-2-one Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-20-17-9-5-6-10-18(17)23(19(20)24)15-21-11-13-22(14-12-21)27(25,26)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1