8-methyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate

Systemtic Name: 8-methyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate Openeye Name: 8-methyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate CAS Name: 8-methyl-6-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-7-olate IUPAC Name: 8-methyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate Traditional Name: 2-keto-4-(2-ketochromen-3-yl)-8-methyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC5=CC=CC=C5OC4=O)C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC5=CC=CC=C5OC4=O)C)[O-]

InChI

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