2-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxyethyl-[(E)-octadec-9-enyl]azanium

Systemtic Name: 2-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxyethyl-[(E)-octadec-9-enyl]azanium Openeye Name: 2-[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]ethyl-[(E)-octadec-9-enyl]ammonium CAS Name: 2-[(E)-1-(dimethylamino)heneicos-12-en-3-yl]oxyethyl-[(E)-octadec-9-enyl]ammonium IUPAC Name: 2-[(E)-1-(dimethylamino)henicos-12-en-3-yl]oxyethyl-[(E)-octadec-9-enyl]azanium Traditional Name: 2-[(E)-1-(2-dimethylaminoethyl)nonadec-10-enoxy]ethyl-[(E)-octadec-9-enyl]ammonium Formula: C43H87N2O+ MolecularWeight: 648.16368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCN(C)C)OCC[NH2+]CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CCN(C)C)OCC[NH2+]CCCCCCCC/C=C/CCCCCCCC

InChI

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