2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl hexadecanoate

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl hexadecanoate Openeye Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl hexadecanoate CAS Name: hexadecanoic acid 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl ester IUPAC Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl hexadecanoate Traditional Name: palmitic acid 2-[3-(2-hydroxyethyl)-2-pentadecyl-2-imidazolin-3-ium-4-yl]ethyl ester Formula: C38H75N2O3+ MolecularWeight: 608.0137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=[N+](C(CN1)CCOC(=O)CCCCCCCCCCCCCCC)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCC1=[N+](C(CN1)CCOC(=O)CCCCCCCCCCCCCCC)CCO

InChI

InChI=1S/C38H74N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-39-35-36(40(37)32-33-41)31-34-43-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,41H,3-35H2,1-2H3/p+1