1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol

Systemtic Name: 1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Openeye Name: 1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol CAS Name: 1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol IUPAC Name: 1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Traditional Name: 1-(4-bromophenyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-2-ol Formula: C20H21BrFN2O+ MolecularWeight: 404.295943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)CC(N2C3=CC=C(C=C3)Br)(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CCC2=[N+](CC1)CC(N2C3=CC=C(C=C3)Br)(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C20H21BrFN2O/c21-16-7-11-18(12-8-16)24-19-4-2-1-3-13-23(19)14-20(24,25)15-5-9-17(22)10-6-15/h5-12,25H,1-4,13-14H2/q+1