3-(4-ethylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-ethylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-ethylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-ethylphenoxy)-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-ethylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-ethylphenoxy)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C26H28F3NO4 MolecularWeight: 475.50003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)CC)C(F)(F)F)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)CC)C(F)(F)F)[O-]

InChI

InChI=1S/C26H28F3NO4/c1-3-16-8-10-18(11-9-16)33-24-22(32)19-12-13-21(31)20(23(19)34-25(24)26(27,28)29)15-30-14-6-5-7-17(30)4-2/h8-13,17,31H,3-7,14-15H2,1-2H3/t17-/m0/s1