[3,5-bis(oxidanyl)phenyl]-trimethyl-azanium; N,N-dimethylcarbamate; bromide

Systemtic Name: [3,5-bis(oxidanyl)phenyl]-trimethyl-azanium; N,N-dimethylcarbamate; bromide Openeye Name: (3,5-dihydroxyphenyl)-trimethyl-ammonium; N,N-dimethylcarbamate; bromide CAS Name: (3,5-dihydroxyphenyl)-trimethylammonium; N,N-dimethylcarbamate; bromide IUPAC Name: (3,5-dihydroxyphenyl)-trimethylazanium; N,N-dimethylcarbamate; bromide Traditional Name: (3,5-dihydroxyphenyl)-trimethyl-ammonium; N,N-dimethylcarbamate; bromide Formula: C15H26BrN3O6-2 MolecularWeight: 424.28744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO2.2C3H7NO2.BrH/c1-10(2,3)7-4-8(11)6-9(12)5-7;2*1-4(2)3(5)6;/h4-6H,1-3H3,(H-,11,12);2*1-2H3,(H,5,6);1H/p-2