6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)prop-2-enoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)prop-2-enoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)prop-2-enoyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-1-oxoprop-2-enyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)prop-2-enoyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[(E)-3-(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acryloyl]pyran-4-one Formula: C19H20NO4+ MolecularWeight: 326.3664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)C=CC2=CC3=C(CC[NH+](C3)C)C=C2

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC3=C(CC[NH+](C3)C)C=C2

InChI

InChI=1S/C19H19NO4/c1-12-9-17(22)18(19(23)24-12)16(21)6-4-13-3-5-14-7-8-20(2)11-15(14)10-13/h3-6,9-10,23H,7-8,11H2,1-2H3/p+1/b6-4+