bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]ammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]ammonium; methyl sulfate Formula: C24H51NO6S MolecularWeight: 481.72984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H48NO2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26;1-5-6(2,3)4/h10-11,25-26H,3-9,12-23H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b11-10-;