diethyl-methyl-[1-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate

Systemtic Name: diethyl-methyl-[1-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate Openeye Name: diethyl-methyl-[1-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium; methyl sulfate CAS Name: diethyl-methyl-[1-[[(E)-1-oxooctadec-9-enyl]amino]ethyl]ammonium; methyl sulfate IUPAC Name: diethyl-methyl-[1-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate Traditional Name: diethyl-methyl-[1-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium; methyl sulfate Formula: C26H54N2O5S MolecularWeight: 506.78236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)[N+](C)(CC)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H50N2O.CH4O4S/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)26-24(4)27(5,7-2)8-3;1-5-6(2,3)4/h15-16,24H,6-14,17-23H2,1-5H3;1H3,(H,2,3,4)/b16-15+;