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

Systemtic Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-4-(2-oxidanylidenechromen-3-yl)chromen-7-olate Openeye Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-4-(2-oxochromen-3-yl)chromen-7-olate CAS Name: 8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-7-olate IUPAC Name: 8-[(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-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H23NO5 MolecularWeight: 417.45382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)[O-]

InChI

InChI=1S/C25H23NO5/c1-15-5-4-10-26(13-15)14-20-21(27)9-8-17-18(12-23(28)31-24(17)20)19-11-16-6-2-3-7-22(16)30-25(19)29/h2-3,6-9,11-12,15,27H,4-5,10,13-14H2,1H3