[3,5-bis(bromanyl)-1-propyl-1H-pyrrol-1-ium-2-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone bromide

Systemtic Name: [3,5-bis(bromanyl)-1-propyl-1H-pyrrol-1-ium-2-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone bromide Openeye Name: (3,5-dibromo-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone bromide CAS Name: (3,5-dibromo-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone bromide IUPAC Name: (3,5-dibromo-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone bromide Traditional Name: (3,5-dibromo-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone bromide Formula: C22H30Br3NO2 MolecularWeight: 580.1911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(=CC(=C1C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Br)Br.[Br-]

Isomeric SMILES

CCC[NH+]1C(=CC(=C1C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Br)Br.[Br-]

InChI

InChI=1S/C22H29Br2NO2.BrH/c1-8-9-25-17(24)12-16(23)18(25)19(26)13-10-14(21(2,3)4)20(27)15(11-13)22(5,6)7;/h10-12,27H,8-9H2,1-7H3;1H