8-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-phenyl-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO3 MolecularWeight: 417.42089

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C23H22F3NO3/c24-23(25,26)22-19(15-8-4-3-5-9-15)20(29)16-10-11-18(28)17(21(16)30-22)14-27-12-6-1-2-7-13-27/h3-5,8-11,28H,1-2,6-7,12-14H2