methyl sulfate; trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium Traditional Name: methyl sulfate; trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium Formula: C25H52N2O5S MolecularWeight: 492.75578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H48N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h12-13H,5-11,14-23H2,1-4H3;1H3,(H,2,3,4)/b13-12-;