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

Systemtic Name: 3-(3-methoxyphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3-methoxyphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3-methoxyphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3-methoxyphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(3-methoxyphenoxy)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C22H23NO5/c1-26-15-6-5-7-16(12-15)28-20-14-27-22-17(21(20)25)8-9-19(24)18(22)13-23-10-3-2-4-11-23/h5-9,12,14,24H,2-4,10-11,13H2,1H3