methyl 4-[[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxymethyl]benzoate CAS Name: 4-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyranyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxymethyl]benzoate Traditional Name: 4-[[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxymethyl]benzoic acid methyl ester Formula: C24H24NO5+ MolecularWeight: 406.45106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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