bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-ethyl]-dimethyl-azanium bromide

Systemtic Name: bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-ethyl]-dimethyl-azanium bromide Openeye Name: bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-ethyl]-dimethyl-ammonium bromide CAS Name: bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]-dimethylammonium bromide IUPAC Name: bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]-dimethylazanium bromide Traditional Name: bis[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-ethyl]-dimethyl-ammonium bromide Formula: C26H44BrNO4 MolecularWeight: 514.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C[N+](C)(C)CC(=O)OCC=C(C)CCC=C(C)C)C)C.[Br-]

Isomeric SMILES

CC(=CCC/C(=C/COC(=O)C[N+](CC(=O)OC/C=C(/CCC=C(C)C)\C)(C)C)/C)C.[Br-]

InChI

InChI=1S/C26H44NO4.BrH/c1-21(2)11-9-13-23(5)15-17-30-25(28)19-27(7,8)20-26(29)31-18-16-24(6)14-10-12-22(3)4;/h11-12,15-16H,9-10,13-14,17-20H2,1-8H3;1H/q+1;/p-1/b23-15+,24-16+;