4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-quinolin-1-ium-1-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-quinolin-1-ium-1-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-quinolin-1-ium-1-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-1-quinolin-1-iumcarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxoquinolin-1-ium-1-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-1-p-anisyl-quinolin-1-ium-1-carboxylic acid Formula: C25H20NO6+ MolecularWeight: 430.4294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(C3=CC=CC=C3C(=CC2=O)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(C3=CC=CC=C3C(=CC2=O)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H19NO6/c1-30-18-9-6-16(7-10-18)14-26(25(28)29)21-5-3-2-4-19(21)20(13-24(26)27)17-8-11-22-23(12-17)32-15-31-22/h2-13H,14-15H2,1H3/p+1