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

Systemtic Name: 1-(4-bromophenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl)ethanone Formula: C22H22BrN2O+ MolecularWeight: 410.32688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN2O/c23-19-12-10-18(11-13-19)21(26)16-24-15-20(17-7-3-1-4-8-17)25-14-6-2-5-9-22(24)25/h1,3-4,7-8,10-13,15H,2,5-6,9,14,16H2/q+1