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

Systemtic Name: 3-(2-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-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=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O

InChI

InChI=1S/C22H23NO4/c1-26-20-8-4-3-7-15(20)18-14-27-22-16(21(18)25)9-10-19(24)17(22)13-23-11-5-2-6-12-23/h3-4,7-10,14,24H,2,5-6,11-13H2,1H3/p+1