5-[(3,5-dimethoxyphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-[(3,5-dimethoxyphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[(3,5-dimethoxyphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[(3,5-dimethoxyphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[(3,5-dimethoxyphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(3,5-dimethoxybenzyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H25NO5/c1-27-20-9-17(10-21(11-20)28-2)15-30-24-16-29-22(12-23(24)26)14-25-8-7-18-5-3-4-6-19(18)13-25/h3-6,9-12,16H,7-8,13-15H2,1-2H3/p+1