bis[1-[(E)-octadec-9-enoyl]oxyethyl]-(3-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: bis[1-[(E)-octadec-9-enoyl]oxyethyl]-(3-oxidanylpropyl)azanium; methyl sulfate Openeye Name: 3-hydroxypropyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate CAS Name: 3-hydroxypropyl-bis[1-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium; methyl sulfate IUPAC Name: 3-hydroxypropyl-bis[1-[(E)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Traditional Name: 3-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+](CCCO)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)CCCO)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H81NO5.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(46)48-40(3)44(38-35-39-45)41(4)49-43(47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h19-22,40-41,45H,5-18,23-39H2,1-4H3;1H3,(H,2,3,4)/b21-19+,22-20+;