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

Systemtic Name: 4-cyclopropyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H24N5S+ MolecularWeight: 330.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C17H23N5S/c1-13-6-10-20(11-7-13)12-21-17(23)22(15-2-3-15)16(19-21)14-4-8-18-9-5-14/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3/p+1