[1-hexadecanoyloxy-3-(2-hexadecanoyloxyethyl)-5-oxidanyl-pentan-3-yl]azanium

Systemtic Name: [1-hexadecanoyloxy-3-(2-hexadecanoyloxyethyl)-5-oxidanyl-pentan-3-yl]azanium Openeye Name: [1,1-bis(2-hexadecanoyloxyethyl)-3-hydroxy-propyl]ammonium CAS Name: [1-hydroxy-5-(1-oxohexadecoxy)-3-[2-(1-oxohexadecoxy)ethyl]pentan-3-yl]ammonium IUPAC Name: [1-hexadecanoyloxy-3-(2-hexadecanoyloxyethyl)-5-hydroxypentan-3-yl]azanium Traditional Name: [1,1-bis(2-hexadecanoyloxyethyl)-3-hydroxy-propyl]ammonium Formula: C39H78NO5+ MolecularWeight: 641.04032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(CCO)(CCOC(=O)CCCCCCCCCCCCCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(CCO)(CCOC(=O)CCCCCCCCCCCCCCC)[NH3+]

InChI

InChI=1S/C39H77NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(42)44-35-32-39(40,31-34-41)33-36-45-38(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-36,40H2,1-2H3/p+1