3-(2,5-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-2-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

InChI

InChI=1S/C24H27NO5/c1-15-5-4-10-25(13-15)14-20-21(26)8-6-16-11-19(24(27)30-23(16)20)18-12-17(28-2)7-9-22(18)29-3/h6-9,11-12,15,26H,4-5,10,13-14H2,1-3H3