4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C13H20N6S+2 MolecularWeight: 292.4031

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H18N6S/c1-16-10-15-19(13(16)20)11-17-6-8-18(9-7-17)12-4-2-3-5-14-12/h2-5,10H,6-9,11H2,1H3/p+2