1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-methyl-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-20-17-4-2-3-5-18(17)23(19(20)27)14-21-10-12-22(13-11-21)15-6-8-16(9-7-15)24(25)26/h2-9H,10-14H2,1H3/p+1