2-(2-octadecanoylchloranuidyl-1-octadecanoyloxy-propan-2-yl)oxy-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-(2-octadecanoylchloranuidyl-1-octadecanoyloxy-propan-2-yl)oxy-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-(1-methyl-1-octadecanoylchloranuidyl-2-octadecanoyloxy-ethoxy)-2-(trimethylammonio)acetate CAS Name: 2-[1-(1-oxooctadecoxy)-2-(1-oxooctadecylchloranuidyl)propan-2-yl]oxy-2-(trimethylammonio)acetate IUPAC Name: 2-(2-octadecanoylchloranuidyl-1-octadecanoyloxypropan-2-yl)oxy-2-(trimethylazaniumyl)acetate Traditional Name: 2-(1-methyl-1-stearoylchloranuidyl-2-stearoyloxy-ethoxy)-2-(trimethylammonio)acetate Formula: C44H85ClNO6- MolecularWeight: 759.6018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(OC(C(=O)[O-])[N+](C)(C)C)[Cl-]C(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(OC(C(=O)[O-])[N+](C)(C)C)[Cl-]C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H86ClNO6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(47)45-44(3,52-42(43(49)50)46(4,5)6)39-51-41(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h42H,7-39H2,1-6H3,(H,49,50)/p-1