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

Systemtic Name: 3-naphthalen-2-yloxy-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-naphthyloxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-naphthalenyloxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-naphthalen-2-yloxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(2-naphthoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C26H22F3NO4 MolecularWeight: 469.45239

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C26H22F3NO4/c27-26(28,29)25-24(33-18-9-8-16-6-2-3-7-17(16)14-18)22(32)19-10-11-21(31)20(23(19)34-25)15-30-12-4-1-5-13-30/h2-3,6-11,14,31H,1,4-5,12-13,15H2