3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-ethoxycarbonylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-ethoxycarbonylphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-ethoxycarbonylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

InChI

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