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

Systemtic Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-ethoxycarbonyl-3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-4-keto-3-(2-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=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC(C3)C)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-9-5-6-10-21(17)31-3)23(29)18-11-12-20(28)19(24(18)33-25)15-27-13-7-8-16(2)14-27/h5-6,9-12,16,28H,4,7-8,13-15H2,1-3H3