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

Systemtic Name: 3-(2-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C23H23F3NO4+ MolecularWeight: 434.42823

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NO4/c1-30-18-8-4-3-7-14(18)19-20(29)15-9-10-17(28)16(13-27-11-5-2-6-12-27)21(15)31-22(19)23(24,25)26/h3-4,7-10,28H,2,5-6,11-13H2,1H3/p+1