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

Systemtic Name: 8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-naphthalen-1-yl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(1-naphthyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-3-(1-naphthalenyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-naphthalen-1-yl-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(1-naphthyl)-2-(trifluoromethyl)chromone Formula: C27H25F3NO3+ MolecularWeight: 468.48751

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)O

InChI

InChI=1S/C27H24F3NO3/c1-16-7-4-5-14-31(16)15-21-22(32)13-12-20-24(33)23(26(27(28,29)30)34-25(20)21)19-11-6-9-17-8-2-3-10-18(17)19/h2-3,6,8-13,16,32H,4-5,7,14-15H2,1H3/p+1/t16-/m1/s1