3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C20H16NO5+ MolecularWeight: 350.34474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)C=CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H15NO5/c1-21-14-5-3-2-4-13(14)19(23)18(20(21)24)15(22)8-6-12-7-9-16-17(10-12)26-11-25-16/h2-10,18H,11H2,1H3/p+1/b8-6+