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

Systemtic Name: azepan-2-ylidene-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-[3-(trifluoromethyl)phenyl]azanium Openeye Name: azepan-2-ylidene-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-[3-(trifluoromethyl)phenyl]ammonium CAS Name: 2-azepanylidene-[2-(4-ethoxyphenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: azepan-2-ylidene-[2-(4-ethoxyphenyl)-2-oxoethyl]-[3-(trifluoromethyl)phenyl]azanium Traditional Name: azepan-2-ylidene-(2-keto-2-p-phenetyl-ethyl)-[3-(trifluoromethyl)phenyl]ammonium Formula: C23H26F3N2O2+ MolecularWeight: 419.45995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N2O2/c1-2-30-20-12-10-17(11-13-20)21(29)16-28(22-9-4-3-5-14-27-22)19-8-6-7-18(15-19)23(24,25)26/h6-8,10-13,15H,2-5,9,14,16H2,1H3/p+1