ethyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: ethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[7-hydroxy-4-keto-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C26H23F3NO3+ MolecularWeight: 454.46093

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C26H22F3NO3/c1-2-30(15-17-9-5-3-6-10-17)16-20-21(31)14-13-19-23(32)22(18-11-7-4-8-12-18)25(26(27,28)29)33-24(19)20/h3-14,31H,2,15-16H2,1H3/p+1