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

Systemtic Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]ethyl-(2-hydroxyethyl)-methyl-azanium; methyl sulfate Openeye Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]ethyl-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate CAS Name: 2,2-bis[(E)-1-oxooctadec-9-enoxy]ethyl-(2-hydroxyethyl)-methylammonium; methyl sulfate IUPAC Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]ethyl-(2-hydroxyethyl)-methylazanium; methyl sulfate Traditional Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]ethyl-(2-hydroxyethyl)-methyl-ammonium; methyl sulfate Formula: C42H81NO9S MolecularWeight: 776.15884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H77NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(44)46-41(38-42(3)36-37-43)47-40(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,41,43H,4-17,22-38H2,1-3H3;1H3,(H,2,3,4)/b20-18+,21-19+;