3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H15N3O2S/c20-16-19(17-15(21-16)14-6-3-9-22-14)11-18-8-7-12-4-1-2-5-13(12)10-18/h1-6,9H,7-8,10-11H2/p+1