(4-tert-butylphenyl)methyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide

Systemtic Name: (4-tert-butylphenyl)methyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide Openeye Name: (4-tert-butylphenyl)methyl-(4-hydroxy-4-oxo-butyl)-dimethyl-ammonium bromide CAS Name: (4-tert-butylphenyl)methyl-(4-hydroxy-4-oxobutyl)-dimethylammonium bromide IUPAC Name: (4-tert-butylphenyl)methyl-(4-hydroxy-4-oxobutyl)-dimethylazanium bromide Traditional Name: (4-tert-butylbenzyl)-(4-hydroxy-4-keto-butyl)-dimethyl-ammonium bromide Formula: C17H28BrNO2 MolecularWeight: 358.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+](C)(C)CCCC(=O)O.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+](C)(C)CCCC(=O)O.[Br-]

InChI

InChI=1S/C17H27NO2.BrH/c1-17(2,3)15-10-8-14(9-11-15)13-18(4,5)12-6-7-16(19)20;/h8-11H,6-7,12-13H2,1-5H3;1H