4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 4-oxo-8-(piperidin-1-ium-1-ylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 4-oxo-8-(1-piperidin-1-iumylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-8-(piperidin-1-ium-1-ylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-(piperidin-1-ium-1-ylmethyl)-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C25H26F3NO4 MolecularWeight: 461.47345

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C25H26F3NO4/c1-2-6-16-7-9-17(10-8-16)32-23-21(31)18-11-12-20(30)19(15-29-13-4-3-5-14-29)22(18)33-24(23)25(26,27)28/h7-12,30H,2-6,13-15H2,1H3