azepan-2-ylidene-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-[3-(trifluoromethyl)phenyl]azanium

Systemtic Name: azepan-2-ylidene-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-[3-(trifluoromethyl)phenyl]azanium Openeye Name: azepan-2-ylidene-[2-oxo-2-(2-thienyl)ethyl]-[3-(trifluoromethyl)phenyl]ammonium CAS Name: 2-azepanylidene-(2-oxo-2-thiophen-2-ylethyl)-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: azepan-2-ylidene-(2-oxo-2-thiophen-2-ylethyl)-[3-(trifluoromethyl)phenyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(2-thienyl)ethyl]-[3-(trifluoromethyl)phenyl]ammonium Formula: C19H20F3N2OS+ MolecularWeight: 381.43511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F)NCC1

InChI

InChI=1S/C19H19F3N2OS/c20-19(21,22)14-6-4-7-15(12-14)24(18-9-2-1-3-10-23-18)13-16(25)17-8-5-11-26-17/h4-8,11-12H,1-3,9-10,13H2/p+1