5-[(E)-3-phenylprop-2-enoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-[(E)-3-phenylprop-2-enoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[(E)-cinnamyl]oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[(E)-3-phenylprop-2-enoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[(E)-3-phenylprop-2-enoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-[(E)-cinnamyl]oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C24H24NO3+ MolecularWeight: 374.45226

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H23NO3/c26-23-15-22(17-25-13-12-20-10-4-5-11-21(20)16-25)28-18-24(23)27-14-6-9-19-7-2-1-3-8-19/h1-11,15,18H,12-14,16-17H2/p+1/b9-6+