5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-[2-keto-2-(4-methoxyphenyl)ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C24H24NO5+ MolecularWeight: 406.45106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5/c1-28-20-8-6-18(7-9-20)23(27)15-30-24-16-29-21(12-22(24)26)14-25-11-10-17-4-2-3-5-19(17)13-25/h2-9,12,16H,10-11,13-15H2,1H3/p+1