1-methyl-5-nitro-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-methyl-5-nitro-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-5-nitro-benzimidazole CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1-methyl-5-nitrobenzimidazole IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-1-methyl-5-nitro-benzimidazole Formula: C19H22N5O4S+ MolecularWeight: 416.47408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O4S/c1-21-18-8-7-15(24(25)26)13-17(18)20-19(21)14-22-9-11-23(12-10-22)29(27,28)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1