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

Systemtic Name: 3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H20NO6+ MolecularWeight: 382.3866

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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=CC(=C(C(=C3)OC)O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-22-14-7-5-4-6-13(14)19(24)18(21(22)26)15(23)9-8-12-10-16(27-2)20(25)17(11-12)28-3/h4-11,18H,1-3H3,(H,23,25)/p+1