5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H27N5OS/c1-18(2,3)16-19-17(25)23(20-16)13-21-9-11-22(12-10-21)14-7-5-6-8-15(14)24-4/h5-8H,9-13H2,1-4H3,(H,19,20,25)/p+1