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

Systemtic Name: 2-hydroxyethyl-methyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[2-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-bis[2-[(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)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCC/C=C/CCCCCCCC)(CCO)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H82NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,45H,4-17,22-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b20-18+,21-19+;