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

Systemtic Name: 4,5-dicyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H26N6S+2 MolecularWeight: 358.50424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C18H24N6S/c25-18-23(20-17(14-4-5-14)24(18)15-6-7-15)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-3,8,14-15H,4-7,9-13H2/p+2