4-propyl-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-propyl-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-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-propyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-propyl-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-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H27N7S+2 MolecularWeight: 397.54028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7S/c1-2-11-26-19(17-3-7-21-8-4-17)23-27(20(26)28)16-24-12-14-25(15-13-24)18-5-9-22-10-6-18/h3-10H,2,11-16H2,1H3/p+2