2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-ammonium; methyl sulfate CAS Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethylammonium; methyl sulfate IUPAC Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethylazanium; methyl sulfate Traditional Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethyl-ammonium; methyl sulfate Formula: C43H87NO6S MolecularWeight: 746.21898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C/CCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H84NO2.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41-42(40-43(3,4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h20-23,42H,6-19,24-41H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1/b22-20+,23-21+;