1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium; methyl sulfate CAS Name: 1,2-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium; methyl sulfate IUPAC Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium; methyl sulfate Traditional Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium; methyl sulfate Formula: C43H83NO8S MolecularWeight: 774.18602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(44)46-39(3)42(43(4,5)6)47-41(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h21-24,39,42H,7-20,25-38H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;