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

Systemtic Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO3 MolecularWeight: 417.42089

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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

CC1CCC[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