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

Systemtic Name: 4-oxidanylidene-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 4-oxo-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C21H18F3NO3 MolecularWeight: 389.36773

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C21H18F3NO3/c22-21(23,24)20-17(13-6-2-1-3-7-13)18(27)14-8-9-16(26)15(19(14)28-20)12-25-10-4-5-11-25/h1-3,6-9,26H,4-5,10-12H2