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

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 3-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 3-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 3-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 3-(4-bromophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C20H20Br2N2 MolecularWeight: 448.1942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN2.BrH/c21-17-12-10-16(11-13-17)19-15-23(18-7-3-1-4-8-18)20-9-5-2-6-14-22(19)20;/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2;1H/q+1;/p-1