[(E)-but-1-enyl]-didodecyl-ethyl-azanium bromide

Systemtic Name: [(E)-but-1-enyl]-didodecyl-ethyl-azanium bromide Openeye Name: [(E)-but-1-enyl]-didodecyl-ethyl-ammonium bromide CAS Name: [(E)-but-1-enyl]-didodecyl-ethylammonium bromide IUPAC Name: [(E)-but-1-enyl]-didodecyl-ethylazanium bromide Traditional Name: [(E)-but-1-enyl]-ethyl-dilauryl-ammonium bromide Formula: C30H62BrN MolecularWeight: 516.72398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCC)C=CCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCC)/C=C/CC.[Br-]

InChI

InChI=1S/C30H62N.BrH/c1-5-9-12-14-16-18-20-22-24-26-29-31(8-4,28-11-7-3)30-27-25-23-21-19-17-15-13-10-6-2;/h11,28H,5-10,12-27,29-30H2,1-4H3;1H/q+1;/p-1/b28-11+;