[(4Z,8E)-1-acetyloxy-5,9,13-trimethyl-tetradeca-4,8,12-trien-2-yl]-triethyl-azanium bromide

Systemtic Name: [(4Z,8E)-1-acetyloxy-5,9,13-trimethyl-tetradeca-4,8,12-trien-2-yl]-triethyl-azanium bromide Openeye Name: [(3Z,7E)-1-(acetoxymethyl)-4,8,12-trimethyl-trideca-3,7,11-trienyl]-triethyl-ammonium bromide CAS Name: [(4Z,8E)-1-acetyloxy-5,9,13-trimethyltetradeca-4,8,12-trien-2-yl]-triethylammonium bromide IUPAC Name: [(4Z,8E)-1-acetyloxy-5,9,13-trimethyltetradeca-4,8,12-trien-2-yl]-triethylazanium bromide Traditional Name: [(3Z,7E)-1-(acetoxymethyl)-4,8,12-trimethyl-trideca-3,7,11-trienyl]-triethyl-ammonium bromide Formula: C25H46BrNO2 MolecularWeight: 472.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46NO2.BrH/c1-9-26(10-2,11-3)25(20-28-24(8)27)19-18-23(7)17-13-16-22(6)15-12-14-21(4)5;/h14,16,18,25H,9-13,15,17,19-20H2,1-8H3;1H/q+1;/p-1/b22-16+,23-18-;