2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-dimethyl-[2-[[(E)-1-oxooctadec-9-enyl]amino]ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium; methyl sulfate Formula: C25H52N2O6S MolecularWeight: 508.75518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H48N2O2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(2,3)22-23-27;1-5-6(2,3)4/h11-12,27H,4-10,13-23H2,1-3H3;1H3,(H,2,3,4)/b12-11+;