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3-(docosanoylamino)propyl-trimethyl-azanium; methyl sulfate

3-(docosanoylamino)propyl-trimethyl-azanium; methyl sulfate

Systemtic Name:3-(docosanoylamino)propyl-trimethyl-azanium; methyl sulfate
Openeye Name:3-(docosanoylamino)propyl-trimethyl-ammonium; methyl sulfate
CAS Name:methyl sulfate; trimethyl-[3-(1-oxodocosylamino)propyl]ammonium
IUPAC Name:3-(docosanoylamino)propyl-trimethylazanium; methyl sulfate
Traditional Name:3-(docosanoylamino)propyl-trimethyl-ammonium; methyl sulfate
Formula: C29H62N2O5S
MolecularWeight: 550.87798
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H58N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(31)29-26-24-27-30(2,3)4;1-5-6(2,3)4/h5-27H2,1-4H3;1H3,(H,2,3,4)


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