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

Systemtic Name: 5-pyridin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-pyridyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-pyridin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-pyridin-4-yl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-pyridyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C17H17N4OS+ MolecularWeight: 325.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)OC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)OC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H16N4OS/c23-17-21(19-16(22-17)14-5-8-18-9-6-14)12-20-10-7-13-3-1-2-4-15(13)11-20/h1-6,8-9H,7,10-12H2/p+1