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

Systemtic Name: 2-hydroxyethyl-methyl-bis[(E)-octadec-9-enoyl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-bis[(E)-octadec-9-enoyl]ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[(E)-1-oxooctadec-9-enyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-bis[(E)-octadec-9-enoyl]azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-bis[(E)-octadec-9-enoyl]ammonium; methyl sulfate Formula: C40H77NO7S MolecularWeight: 716.10688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H74NO3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(42)40(3,36-37-41)39(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,41H,4-17,22-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b20-18+,21-19+;