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

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)[O-]

InChI

InChI=1S/C24H25NO6/c1-15-5-3-4-12-25(15)13-19-20(26)11-10-18-22(27)21(14-30-23(18)19)31-17-8-6-16(7-9-17)24(28)29-2/h6-11,14-15,26H,3-5,12-13H2,1-2H3