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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Formula: C18H25ClN5S+ MolecularWeight: 378.9426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)C4CC4

InChI

InChI=1S/C18H24ClN5S/c1-13-3-4-15(19)11-17(13)22-9-7-21(8-10-22)12-23-18(25)24(14(2)20-23)16-5-6-16/h3-4,11,16H,5-10,12H2,1-2H3/p+1