2-[(9E,28E)-19-(2-dimethylaminoethyl)heptatriaconta-9,28-dien-19-yl]oxyethylazanium ethanoate

Systemtic Name: 2-[(9E,28E)-19-(2-dimethylaminoethyl)heptatriaconta-9,28-dien-19-yl]oxyethylazanium ethanoate Openeye Name: 2-[(E)-1-(2-dimethylaminoethyl)-1-[(E)-octadec-9-enyl]nonadec-10-enoxy]ethylammonium acetate CAS Name: 2-[(9E,28E)-19-(2-dimethylaminoethyl)heptatriaconta-9,28-dien-19-yl]oxyethylammonium acetate IUPAC Name: 2-[(9E,28E)-19-(2-dimethylaminoethyl)heptatriaconta-9,28-dien-19-yl]oxyethylazanium acetate Traditional Name: 2-[(E)-1-(2-dimethylaminoethyl)-1-[(E)-octadec-9-enyl]nonadec-10-enoxy]ethylammonium acetate Formula: C45H90N2O3 MolecularWeight: 707.2077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)(CCN(C)C)OCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(OCC[NH3+])(CCN(C)C)CCCCCCCC/C=C/CCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C43H86N2O.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(46-42-40-44,39-41-45(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h19-22H,5-18,23-42,44H2,1-4H3;1H3,(H,3,4)/b21-19+,22-20+;