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

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

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

Isomeric SMILES

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

InChI

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