bis[1-[(E)-octadec-9-enoyl]oxyethyl]-(2-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: bis[1-[(E)-octadec-9-enoyl]oxyethyl]-(2-oxidanylpropyl)azanium; methyl sulfate Openeye Name: 2-hydroxypropyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate CAS Name: 2-hydroxypropyl-bis[1-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxypropyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Traditional Name: 2-hydroxypropyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate Formula: C44H85NO9S MolecularWeight: 804.212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)[NH+](CC(C)O)C(C)OC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC([NH+](C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)CC(O)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H81NO5.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)48-40(4)44(38-39(3)45)41(5)49-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h20-23,39-41,45H,6-19,24-38H2,1-5H3;1H3,(H,2,3,4)/b22-20+,23-21+;