4-cyclopropyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H25N6S+ MolecularWeight: 345.4856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C17H24N6S/c1-14-19-22(17(24)23(14)16-2-3-16)13-21-10-8-20(9-11-21)12-15-4-6-18-7-5-15/h4-7,16H,2-3,8-13H2,1H3/p+1