8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate

Systemtic Name: 8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate Openeye Name: 8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate CAS Name: 8-[(3,5-dimethyl-1-piperidin-1-iumyl)methyl]-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-7-olate IUPAC Name: 8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate Traditional Name: 8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-keto-4-(2-ketochromen-3-yl)chromen-7-olate Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)[O-])C

Isomeric SMILES

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)[O-])C

InChI

InChI=1S/C26H25NO5/c1-15-9-16(2)13-27(12-15)14-21-22(28)8-7-18-19(11-24(29)32-25(18)21)20-10-17-5-3-4-6-23(17)31-26(20)30/h3-8,10-11,15-16,28H,9,12-14H2,1-2H3