4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-chloro-2-oxo-chromen-3-yl)-8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(6-chloro-2-oxo-1-benzopyran-3-yl)-8-[(3,5-dimethyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-chloro-2-oxochromen-3-yl)-8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-(6-chloro-2-keto-chromen-3-yl)-8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-keto-chromen-7-olate Formula: C26H24ClNO5 MolecularWeight: 465.92546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)[O-])C

Isomeric SMILES

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)[O-])C

InChI

InChI=1S/C26H24ClNO5/c1-14-7-15(2)12-28(11-14)13-21-22(29)5-4-18-19(10-24(30)33-25(18)21)20-9-16-8-17(27)3-6-23(16)32-26(20)31/h3-6,8-10,14-15,29H,7,11-13H2,1-2H3