(5-chloranyl-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone chloride

Systemtic Name: (5-chloranyl-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone chloride Openeye Name: (5-chloro-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone chloride CAS Name: (5-chloro-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone chloride IUPAC Name: (5-chloro-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone chloride Traditional Name: (5-chloro-1-propyl-1H-pyrrol-1-ium-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone chloride Formula: C22H31Cl2NO2 MolecularWeight: 412.39304

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(=CC=C1Cl)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Cl-]

Isomeric SMILES

CCC[NH+]1C(=CC=C1Cl)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.[Cl-]

InChI

InChI=1S/C22H30ClNO2.ClH/c1-8-11-24-17(9-10-18(24)23)19(25)14-12-15(21(2,3)4)20(26)16(13-14)22(5,6)7;/h9-10,12-13,26H,8,11H2,1-7H3;1H