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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)19-14-27-22-17(21(19)25)9-10-20(24)18(22)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3