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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N5OS/c1-18-23-27(22(29)26(18)16-19-6-4-3-5-7-19)17-24-12-14-25(15-13-24)20-8-10-21(28-2)11-9-20/h3-11H,12-17H2,1-2H3/p+1