3-(2-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-2-olate

Systemtic Name: 3-(2-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-2-olate Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-2-olate CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-olate IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-2-olate Traditional Name: 7-hydroxy-4-keto-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)[O-]

InChI

InChI=1S/C22H23NO5/c1-27-18-8-4-3-7-14(18)19-20(25)15-9-10-17(24)16(21(15)28-22(19)26)13-23-11-5-2-6-12-23/h3-4,7-10,24,26H,2,5-6,11-13H2,1H3