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

Systemtic Name: 1-phenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone bromide Openeye Name: 1-phenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone bromide CAS Name: 1-phenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone bromide IUPAC Name: 1-phenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone bromide Traditional Name: 1-phenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl)ethanone bromide Formula: C22H23BrN2O MolecularWeight: 411.33482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H23N2O.BrH/c25-21(19-12-6-2-7-13-19)17-23-16-20(18-10-4-1-5-11-18)24-15-9-3-8-14-22(23)24;/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2;1H/q+1;/p-1