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

Systemtic Name: 5-[(2,5-dimethylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[(2,5-dimethylphenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(2,5-dimethylbenzyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C24H26NO3+ MolecularWeight: 376.46814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25NO3/c1-17-7-8-18(2)21(11-17)15-28-24-16-27-22(12-23(24)26)14-25-10-9-19-5-3-4-6-20(19)13-25/h3-8,11-12,16H,9-10,13-15H2,1-2H3/p+1