(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)pentane-1,3-dione

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)pentane-1,3-dione Openeye Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)pentane-1,3-dione CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)pentane-1,3-dione IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)pentane-1,3-dione Traditional Name: (2E)-1-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)-2-piperonylidene-pentane-1,3-dione Formula: C23H20NO6+ MolecularWeight: 406.408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC2=C(C=C1)OCO2)C(=O)C3C(=O)C4=CC=CC=C4[N+](=C3O)C

Isomeric SMILES

CCC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)C3C(=O)C4=CC=CC=C4[N+](=C3O)C

InChI

InChI=1S/C23H19NO6/c1-3-17(25)15(10-13-8-9-18-19(11-13)30-12-29-18)22(27)20-21(26)14-6-4-5-7-16(14)24(2)23(20)28/h4-11,20H,3,12H2,1-2H3/p+1/b15-10+