ethyl-octadecanoyl-oxidanyl-(3-oxidanylideneicosan-2-yl)azanium; methyl sulfate

Systemtic Name: ethyl-octadecanoyl-oxidanyl-(3-oxidanylideneicosan-2-yl)azanium; methyl sulfate Openeye Name: ethyl-hydroxy-(1-methyl-2-oxo-nonadecyl)-octadecanoyl-ammonium; methyl sulfate CAS Name: ethyl-hydroxy-(3-oxoeicosan-2-yl)-(1-oxooctadecyl)ammonium; methyl sulfate IUPAC Name: ethyl-hydroxy-octadecanoyl-(3-oxoicosan-2-yl)azanium; methyl sulfate Traditional Name: ethyl-hydroxy-(2-keto-1-methyl-nonadecyl)-stearoyl-ammonium; methyl sulfate Formula: C41H83NO7S MolecularWeight: 734.16522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)[N+](CC)(C(=O)CCCCCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)[N+](CC)(C(=O)CCCCCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C40H80NO3.CH4O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(42)38(4)41(44,7-3)40(43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-5-6(2,3)4/h38,44H,5-37H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1