4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H25N7S+2 MolecularWeight: 383.5137

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=NC=C4

InChI

InChI=1S/C19H23N7S/c1-2-25-18(16-3-7-20-8-4-16)22-26(19(25)27)15-23-11-13-24(14-12-23)17-5-9-21-10-6-17/h3-10H,2,11-15H2,1H3/p+2