4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butyl-phenol Openeye Name: 4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butyl-phenol CAS Name: 4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butylphenol IUPAC Name: 4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butylphenol Traditional Name: 4-[1-(4-bromophenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-4-ium-3-yl]-2,6-ditert-butyl-phenol Formula: C26H32BrN2O+ MolecularWeight: 468.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CN(C3=[N+]2CCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CN(C3=[N+]2CCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H31BrN2O/c1-25(2,3)20-14-17(15-21(24(20)30)26(4,5)6)22-16-29(23-8-7-13-28(22)23)19-11-9-18(27)10-12-19/h9-12,14-16H,7-8,13H2,1-6H3/p+1