methyl sulfate; [3-[[(E)-octadec-9-enoyl]amino]-1-oxidanyl-butan-2-yl]azanium

Systemtic Name: methyl sulfate; [3-[[(E)-octadec-9-enoyl]amino]-1-oxidanyl-butan-2-yl]azanium Openeye Name: [1-(hydroxymethyl)-2-[[(E)-octadec-9-enoyl]amino]propyl]ammonium; methyl sulfate CAS Name: [1-hydroxy-3-[[(E)-1-oxooctadec-9-enyl]amino]butan-2-yl]ammonium; methyl sulfate IUPAC Name: [1-hydroxy-3-[[(E)-octadec-9-enoyl]amino]butan-2-yl]azanium; methyl sulfate Traditional Name: [1-methylol-2-[[(E)-octadec-9-enoyl]amino]propyl]ammonium; methyl sulfate Formula: C23H48N2O6S MolecularWeight: 480.70202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C)C(CO)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)C(CO)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C22H44N2O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-20(2)21(23)19-25;1-5-6(2,3)4/h10-11,20-21,25H,3-9,12-19,23H2,1-2H3,(H,24,26);1H3,(H,2,3,4)/b11-10+;