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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C22H26N6OS/c1-3-11-27-21(18-5-4-10-23-16-18)24-28(22(27)30)17-25-12-14-26(15-13-25)19-6-8-20(29-2)9-7-19/h3-10,16H,1,11-15,17H2,2H3/p+1