5-phenylmethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-phenylmethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-benzyloxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-phenylmethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-phenylmethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-benzoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C22H22NO3+ MolecularWeight: 348.41498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO3/c24-21-12-20(14-23-11-10-18-8-4-5-9-19(18)13-23)25-16-22(21)26-15-17-6-2-1-3-7-17/h1-9,12,16H,10-11,13-15H2/p+1