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

Systemtic Name: 4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(8-methoxy-2-oxo-1-benzopyran-3-yl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(8-methoxy-2-oxochromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-4-(2-keto-8-methoxy-chromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H25NO6 MolecularWeight: 447.4798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C(=CC=C5)OC)OC4=O)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C(=CC=C5)OC)OC4=O)[O-]

InChI

InChI=1S/C26H25NO6/c1-15-5-4-10-27(13-15)14-20-21(28)9-8-17-18(12-23(29)32-25(17)20)19-11-16-6-3-7-22(31-2)24(16)33-26(19)30/h3,6-9,11-12,15,28H,4-5,10,13-14H2,1-2H3