1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Formula: C25H29BrN2O2 MolecularWeight: 469.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)OC.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=C(C=C4)OC.[Br-]

InChI

InChI=1S/C25H29N2O2.BrH/c1-25(2,3)20-11-7-19(8-12-20)23(28)17-26-16-22(27-15-5-6-24(26)27)18-9-13-21(29-4)14-10-18;/h7-14,16H,5-6,15,17H2,1-4H3;1H/q+1;/p-1