8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-naphthalen-2-yloxy-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-naphthalen-2-yloxy-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-(2-naphthyloxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-(2-naphthalenyloxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-(2-naphthoxy)-2-(trifluoromethyl)chromone Formula: C27H25F3NO4+ MolecularWeight: 484.48691

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)O

InChI

InChI=1S/C27H24F3NO4/c1-16-5-4-12-31(14-16)15-21-22(32)11-10-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-9-8-17-6-2-3-7-18(17)13-19/h2-3,6-11,13,16,32H,4-5,12,14-15H2,1H3/p+1/t16-/m0/s1