5-(naphthalen-1-ylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-(naphthalen-1-ylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-(1-naphthylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-(1-naphthalenylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-(naphthalen-1-ylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(1-naphthylmethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C26H24NO3+ MolecularWeight: 398.47366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H23NO3/c28-25-14-23(16-27-13-12-19-6-1-2-8-21(19)15-27)29-18-26(25)30-17-22-10-5-9-20-7-3-4-11-24(20)22/h1-11,14,18H,12-13,15-17H2/p+1