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

Systemtic Name: 8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-phenyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromone Formula: C23H23F3NO3+ MolecularWeight: 418.42883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NO3/c1-14-6-5-11-27(12-14)13-17-18(28)10-9-16-20(29)19(15-7-3-2-4-8-15)22(23(24,25)26)30-21(16)17/h2-4,7-10,14,28H,5-6,11-13H2,1H3/p+1/t14-/m1/s1