(5-tert-butyl-2-oxidanyl-phenyl)methyl-trimethyl-azanium; N,N-dimethylcarbamate; bromide

Systemtic Name: (5-tert-butyl-2-oxidanyl-phenyl)methyl-trimethyl-azanium; N,N-dimethylcarbamate; bromide Openeye Name: (5-tert-butyl-2-hydroxy-phenyl)methyl-trimethyl-ammonium; N,N-dimethylcarbamate; bromide CAS Name: (5-tert-butyl-2-hydroxyphenyl)methyl-trimethylammonium; N,N-dimethylcarbamate; bromide IUPAC Name: (5-tert-butyl-2-hydroxyphenyl)methyl-trimethylazanium; N,N-dimethylcarbamate; bromide Traditional Name: (5-tert-butyl-2-hydroxy-benzyl)-trimethyl-ammonium; N,N-dimethylcarbamate; bromide Formula: C17H30BrN2O3- MolecularWeight: 390.3357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO.C3H7NO2.BrH/c1-14(2,3)12-7-8-13(16)11(9-12)10-15(4,5)6;1-4(2)3(5)6;/h7-9H,10H2,1-6H3;1-2H3,(H,5,6);1H/p-1