8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one CAS Name: 8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromone Formula: C24H25F3NO3+ MolecularWeight: 432.45541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3NO3/c1-2-16-10-6-7-13-28(16)14-18-19(29)12-11-17-21(30)20(15-8-4-3-5-9-15)23(24(25,26)27)31-22(17)18/h3-5,8-9,11-12,16,29H,2,6-7,10,13-14H2,1H3/p+1/t16-/m0/s1