2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-5-nitro-benzimidazole

Systemtic Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-5-nitro-benzimidazole Openeye Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-5-nitro-benzimidazole CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-methyl-5-nitrobenzimidazole IUPAC Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-methyl-5-nitro-benzimidazole Formula: C19H21ClN5O4S+ MolecularWeight: 450.91914

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O4S/c1-22-18-7-4-15(25(26)27)12-17(18)21-19(22)13-23-8-10-24(11-9-23)30(28,29)16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3/p+1