4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxy-propyl) phosphate

Systemtic Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxy-propyl) phosphate Openeye Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxy-propyl) phosphate CAS Name: 4-[4-(dimethylamino)-1-pyridin-1-iumyl]butyl (2-ethoxy-3-hexadecoxypropyl) phosphate IUPAC Name: 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxypropyl) phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) 4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl phosphate Formula: C32H61N2O6P MolecularWeight: 600.810301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCC[N+]1=CC=C(C=C1)N(C)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCC[N+]1=CC=C(C=C1)N(C)C)OCC

InChI

InChI=1S/C32H61N2O6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-27-37-29-32(38-6-2)30-40-41(35,36)39-28-21-19-24-34-25-22-31(23-26-34)33(3)4/h22-23,25-26,32H,5-21,24,27-30H2,1-4H3