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

Systemtic Name: 8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-olate Formula: C27H24F3NO3 MolecularWeight: 467.47957

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F)[O-]

InChI

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