[(E)-1-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxy-3-oxidanylidene-icos-11-en-2-yl]azanium

Systemtic Name: [(E)-1-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxy-3-oxidanylidene-icos-11-en-2-yl]azanium Openeye Name: [(E)-1-[[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]methyl]-2-oxo-nonadec-10-enyl]ammonium CAS Name: [(E)-1-[(E)-1-(dimethylamino)heneicos-12-en-3-yl]oxy-3-oxoeicos-11-en-2-yl]ammonium IUPAC Name: [(E)-1-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxy-3-oxoicos-11-en-2-yl]azanium Traditional Name: [(E)-1-[[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]methyl]-2-keto-nonadec-10-enyl]ammonium Formula: C43H85N2O2+ MolecularWeight: 662.1472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCN(C)C)OCC(C(=O)CCCCCCCC=CCCCCCCCC)[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CCN(C)C)OCC(C(=O)CCCCCCC/C=C/CCCCCCCC)[NH3+]

InChI

InChI=1S/C43H84N2O2/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(38-39-45(3)4)47-40-42(44)43(46)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h19-22,41-42H,5-18,23-40,44H2,1-4H3/p+1/b21-19+,22-20+