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

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6/c1-28-23(27)15-5-7-16(8-6-15)30-20-14-29-22-17(21(20)26)9-10-19(25)18(22)13-24-11-3-2-4-12-24/h5-10,14,25H,2-4,11-13H2,1H3