2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl]ethyl hexadecanoate chloride

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl]ethyl hexadecanoate chloride Openeye Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl]ethyl hexadecanoate chloride CAS Name: hexadecanoic acid 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl]ethyl ester chloride IUPAC Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazole-1,3-diium-1-yl]ethyl hexadecanoate chloride Traditional Name: palmitic acid 2-[3-(2-hydroxyethyl)-2-pentadecyl-2-imidazoline-1,3-diium-1-yl]ethyl ester chloride Formula: C38H76ClN2O3+ MolecularWeight: 644.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=[N+](CC[NH+]1CCOC(=O)CCCCCCCCCCCCCCC)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=[N+](CC[NH+]1CCOC(=O)CCCCCCCCCCCCCCC)CCO.[Cl-]

InChI

InChI=1S/C38H75N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-39(33-35-41)31-32-40(37)34-36-43-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h41H,3-36H2,1-2H3;1H/q+1;