5,7-diethoxy-3-(1-methylpyridin-1-ium-3-yl)carbonyl-chromen-2-one

Systemtic Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-yl)carbonyl-chromen-2-one Openeye Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)chromen-2-one CAS Name: 5,7-diethoxy-3-[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)chromen-2-one Traditional Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)coumarin Formula: C20H20NO5+ MolecularWeight: 354.3765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=C[N+](=CC=C3)C)OCC

Isomeric SMILES

CCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=C[N+](=CC=C3)C)OCC

InChI

InChI=1S/C20H20NO5/c1-4-24-14-9-17(25-5-2)15-11-16(20(23)26-18(15)10-14)19(22)13-7-6-8-21(3)12-13/h6-12H,4-5H2,1-3H3/q+1