[4-[(4-tert-butylphenyl)methoxy]-4-oxidanylidene-butyl]-[(4-tert-butylphenyl)methyl]-dimethyl-azanium bromide

Systemtic Name: [4-[(4-tert-butylphenyl)methoxy]-4-oxidanylidene-butyl]-[(4-tert-butylphenyl)methyl]-dimethyl-azanium bromide Openeye Name: [4-[(4-tert-butylphenyl)methoxy]-4-oxo-butyl]-[(4-tert-butylphenyl)methyl]-dimethyl-ammonium bromide CAS Name: [4-[(4-tert-butylphenyl)methoxy]-4-oxobutyl]-[(4-tert-butylphenyl)methyl]-dimethylammonium bromide IUPAC Name: [4-[(4-tert-butylphenyl)methoxy]-4-oxobutyl]-[(4-tert-butylphenyl)methyl]-dimethylazanium bromide Traditional Name: (4-tert-butylbenzyl)-[4-(4-tert-butylbenzyl)oxy-4-keto-butyl]-dimethyl-ammonium bromide Formula: C28H42BrNO2 MolecularWeight: 504.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+](C)(C)CCCC(=O)OCC2=CC=C(C=C2)C(C)(C)C.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+](C)(C)CCCC(=O)OCC2=CC=C(C=C2)C(C)(C)C.[Br-]

InChI

InChI=1S/C28H42NO2.BrH/c1-27(2,3)24-15-11-22(12-16-24)20-29(7,8)19-9-10-26(30)31-21-23-13-17-25(18-14-23)28(4,5)6;/h11-18H,9-10,19-21H2,1-8H3;1H/q+1;/p-1