(3-hexadecoxy-2-methoxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate hydrate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate hydrate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 2-(trimethylammonio)ethyl phosphate hydrate CAS Name: (3-hexadecoxy-2-methoxypropyl) 2-(trimethylammonio)ethyl phosphate hydrate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate hydrate Traditional Name: (3-cetyloxy-2-methoxy-propyl) 2-(trimethylammonio)ethyl phosphate hydrate Formula: C25H56NO7P MolecularWeight: 513.688401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.O

InChI

InChI=1S/C25H54NO6P.H2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25(29-5)24-32-33(27,28)31-22-20-26(2,3)4;/h25H,6-24H2,1-5H3;1H2