3-(2-methoxyphenyl)-2,7-bis(oxidanyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2,7-bis(oxidanyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 2,7-dihydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 2,7-dihydroxy-3-(2-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 2,7-dihydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 2,7-dihydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO5+ MolecularWeight: 382.42966

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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/p+1