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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonyl-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-3-(3,4-dimethoxyphenyl)-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C27H31NO7 MolecularWeight: 481.53754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H31NO7/c1-5-34-27(31)26-23(17-9-12-21(32-3)22(14-17)33-4)24(30)18-10-11-20(29)19(25(18)35-26)15-28-13-7-6-8-16(28)2/h9-12,14,16,29H,5-8,13,15H2,1-4H3