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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-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=C(C3=O)C4=CC(=C(C=C4)OC)OC)[O-]

Isomeric SMILES

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

InChI

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