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

Systemtic Name: 5-[(2-methylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-(o-tolylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[(2-methylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[(2-methylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(2-methylbenzyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C23H24NO3+ MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23NO3/c1-17-6-2-3-9-20(17)15-27-23-16-26-21(12-22(23)25)14-24-11-10-18-7-4-5-8-19(18)13-24/h2-9,12,16H,10-11,13-15H2,1H3/p+1