3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide

Systemtic Name: 3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C21H19BrF4N2 MolecularWeight: 455.286573

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(=CN2C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)F.[Br-]

Isomeric SMILES

C1CCC2=[N+](CC1)C(=CN2C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)F.[Br-]

InChI

InChI=1S/C21H19F4N2.BrH/c22-17-10-8-15(9-11-17)19-14-27(20-7-2-1-3-12-26(19)20)18-6-4-5-16(13-18)21(23,24)25;/h4-6,8-11,13-14H,1-3,7,12H2;1H/q+1;/p-1