4-methyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=NC=C4

InChI

InChI=1S/C18H19N5S/c1-21-17(15-6-9-19-10-7-15)20-23(18(21)24)13-22-11-8-14-4-2-3-5-16(14)12-22/h2-7,9-10H,8,11-13H2,1H3/p+1