2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-piperidino-1,2,4-triazole-3-thione Formula: C21H29ClN7O2S+ MolecularWeight: 479.01866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H28ClN7O2S/c22-16-4-7-18(19(14-16)29(30)31)25-12-10-24(11-13-25)15-27-21(32)28(17-5-6-17)20(23-27)26-8-2-1-3-9-26/h4,7,14,17H,1-3,5-6,8-13,15H2/p+1