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

Systemtic Name: 3-(4-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO4+ MolecularWeight: 366.43026

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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/p+1