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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C15H22N5OS+ MolecularWeight: 320.43308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C15H21N5OS/c1-17-11-16-20(15(17)22)12-18-7-9-19(10-8-18)13-5-3-4-6-14(13)21-2/h3-6,11H,7-10,12H2,1-2H3/p+1