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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-propyl-1H-pyrrol-1-ium-2-yl)methanone chloride Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-propyl-1H-pyrrol-1-ium-2-yl)methanone chloride CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-propyl-1H-pyrrol-1-ium-2-yl)methanone chloride IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-propyl-1H-pyrrol-1-ium-2-yl)methanone chloride Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-propyl-1H-pyrrol-1-ium-2-yl)methanone chloride Formula: C22H32ClNO2 MolecularWeight: 377.94798

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2.ClH/c1-8-11-23-12-9-10-18(23)19(24)15-13-16(21(2,3)4)20(25)17(14-15)22(5,6)7;/h9-10,12-14,25H,8,11H2,1-7H3;1H