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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C25H26F3NO5 MolecularWeight: 477.47285

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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)OC)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)OC)C(F)(F)F)[O-]

InChI

InChI=1S/C25H26F3NO5/c1-3-15-6-4-5-13-29(15)14-19-20(30)12-11-18-21(31)23(24(25(26,27)28)34-22(18)19)33-17-9-7-16(32-2)8-10-17/h7-12,15,30H,3-6,13-14H2,1-2H3/t15-/m0/s1