azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium

Systemtic Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium Openeye Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxo-ethyl]-[3-(trifluoromethyl)phenyl]ammonium CAS Name: 2-azepanylidene-[2-(4-bromophenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]azanium Traditional Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-keto-ethyl]-[3-(trifluoromethyl)phenyl]ammonium Formula: C21H21BrF3N2O+ MolecularWeight: 454.30345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)C(F)(F)F)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)C(F)(F)F)NCC1

InChI

InChI=1S/C21H20BrF3N2O/c22-17-10-8-15(9-11-17)19(28)14-27(20-7-2-1-3-12-26-20)18-6-4-5-16(13-18)21(23,24)25/h4-6,8-11,13H,1-3,7,12,14H2/p+1