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

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C14H20N5OS+ MolecularWeight: 306.4065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5OS/c1-16-10-15-19(14(16)21)11-17-6-8-18(9-7-17)12-2-4-13(20)5-3-12/h2-5,10,20H,6-9,11H2,1H3/p+1