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

Systemtic Name: 4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-chloro-2-oxo-chromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(6-chloro-2-oxo-1-benzopyran-3-yl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-chloro-2-oxochromen-3-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-(6-chloro-2-keto-chromen-3-yl)-2-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H22ClNO5 MolecularWeight: 451.89888

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)Cl)OC4=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO5/c1-14-3-2-8-27(12-14)13-20-21(28)6-5-17-18(11-23(29)32-24(17)20)19-10-15-9-16(26)4-7-22(15)31-25(19)30/h4-7,9-11,14,28H,2-3,8,12-13H2,1H3