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

Systemtic Name: (E)-2-azanyl-1-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxy-icos-11-en-3-one Openeye Name: (E)-2-amino-1-[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]icos-11-en-3-one CAS Name: (E)-2-amino-1-[(E)-1-(dimethylamino)heneicos-12-en-3-yl]oxy-11-eicosen-3-one IUPAC Name: (E)-2-amino-1-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxyicos-11-en-3-one Traditional Name: (E)-2-amino-1-[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]eicos-11-en-3-one Formula: C43H84N2O2 MolecularWeight: 661.13926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCN(C)C)OCC(C(=O)CCCCCCCC=CCCCCCCCC)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CCN(C)C)OCC(C(=O)CCCCCCC/C=C/CCCCCCCC)N

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/b21-19+,22-20+