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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6OS/c1-3-12-27-21(18-8-10-23-11-9-18)24-28(22(27)30)17-25-13-15-26(16-14-25)19-4-6-20(29-2)7-5-19/h4-11H,3,12-17H2,1-2H3/p+1