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

Systemtic Name: 2-ethoxycarbonyl-3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-ethoxycarbonyl-3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-ethoxycarbonyl-3-(4-methoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-ethoxycarbonyl-3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-4-keto-3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H29NO6 MolecularWeight: 451.51156

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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+]3CCCC(C3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC(C3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-7-9-18(31-3)10-8-17)23(29)19-11-12-21(28)20(24(19)33-25)15-27-13-5-6-16(2)14-27/h7-12,16,28H,4-6,13-15H2,1-3H3