2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl hexadecyl phosphate hydrate

Systemtic Name: 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl hexadecyl phosphate hydrate Openeye Name: hexadecyl 2-quinuclidin-1-ium-1-ylethyl phosphate hydrate CAS Name: 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl hexadecyl phosphate hydrate IUPAC Name: 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl hexadecyl phosphate hydrate Traditional Name: cetyl 2-quinuclidin-1-ium-1-ylethyl phosphate hydrate Formula: C25H52NO5P MolecularWeight: 477.657841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]12CCC(CC1)CC2.O

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]12CCC(CC1)CC2.O

InChI

InChI=1S/C25H50NO4P.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-29-31(27,28)30-24-22-26-19-16-25(17-20-26)18-21-26;/h25H,2-24H2,1H3;1H2