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

Systemtic Name: 1-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl]ethanone bromide Formula: C23H24Br2N2O2 MolecularWeight: 520.25686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)Br.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)Br.[Br-]

InChI

InChI=1S/C23H24BrN2O2.BrH/c1-28-20-12-8-17(9-13-20)21-15-25(23-5-3-2-4-14-26(21)23)16-22(27)18-6-10-19(24)11-7-18;/h6-13,15H,2-5,14,16H2,1H3;1H/q+1;/p-1