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

Systemtic Name: azepan-2-ylidene-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium Openeye Name: azepan-2-ylidene-[2-(4-methoxyphenyl)-2-oxo-ethyl]-[3-(trifluoromethyl)phenyl]ammonium CAS Name: 2-azepanylidene-[2-(4-methoxyphenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: azepan-2-ylidene-[2-(4-methoxyphenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(4-methoxyphenyl)ethyl]-[3-(trifluoromethyl)phenyl]ammonium Formula: C22H24F3N2O2+ MolecularWeight: 405.43337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O2/c1-29-19-11-9-16(10-12-19)20(28)15-27(21-8-3-2-4-13-26-21)18-7-5-6-17(14-18)22(23,24)25/h5-7,9-12,14H,2-4,8,13,15H2,1H3/p+1