2-(4-methylthiomorpholin-4-ium-4-yl)ethyl octadecyl phosphate hydrate

Systemtic Name: 2-(4-methylthiomorpholin-4-ium-4-yl)ethyl octadecyl phosphate hydrate Openeye Name: 2-(4-methylthiomorpholin-4-ium-4-yl)ethyl octadecyl phosphate hydrate CAS Name: 2-(4-methyl-4-thiomorpholin-4-iumyl)ethyl octadecyl phosphate hydrate IUPAC Name: 2-(4-methylthiomorpholin-4-ium-4-yl)ethyl octadecyl phosphate hydrate Traditional Name: 2-(4-methylthiomorpholin-4-ium-4-yl)ethyl stearyl phosphate hydrate Formula: C25H54NO5PS MolecularWeight: 511.738721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCSCC1)C.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCSCC1)C.O

InChI

InChI=1S/C25H52NO4PS.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-31(27,28)30-23-19-26(2)20-24-32-25-21-26;/h3-25H2,1-2H3;1H2