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

Systemtic Name: 4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H25N7S+2 MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=NC=C4

InChI

InChI=1S/C20H23N7S/c1-2-11-26-19(17-6-9-21-10-7-17)23-27(20(26)28)16-24-12-14-25(15-13-24)18-5-3-4-8-22-18/h2-10H,1,11-16H2/p+2