2-[(2-acetyloxy-3-octadecoxy-propoxy)carbonyl-ethanoyl-amino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(2-acetyloxy-3-octadecoxy-propoxy)carbonyl-ethanoyl-amino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(2-acetoxy-3-octadecoxy-propoxy)carbonyl-acetyl-amino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[acetyl-[(2-acetyloxy-3-octadecoxypropoxy)-oxomethyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[acetyl-(2-acetyloxy-3-octadecoxypropoxy)carbonylamino]ethyl-trimethylazanium iodide Traditional Name: 2-[(2-acetoxy-3-stearyloxy-propoxy)carbonyl-acetyl-amino]ethyl-trimethyl-ammonium iodide Formula: C31H61IN2O6 MolecularWeight: 684.73031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)OC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)OC(=O)C.[I-]

InChI

InChI=1S/C31H61N2O6.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-26-30(39-29(3)35)27-38-31(36)32(28(2)34)23-24-33(4,5)6;/h30H,7-27H2,1-6H3;1H/q+1;/p-1