[1-(2-methylprop-2-enoyloxy)-3-(pyridin-2-ylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-(2-methylprop-2-enoyloxy)-3-(pyridin-2-ylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(2-methylprop-2-enoyloxymethyl)-2-(2-pyridylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(2-methyl-1-oxoprop-2-enoxy)-3-(2-pyridinylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(2-methylprop-2-enoyloxy)-3-(pyridin-2-ylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(methacryloyloxymethyl)-2-(2-pyridylamino)ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C17H28N3O6P MolecularWeight: 401.394481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC(CNC1=CC=CC=N1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CC(=C)C(=O)OCC(CNC1=CC=CC=N1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C17H28N3O6P/c1-14(2)17(21)24-13-15(12-19-16-8-6-7-9-18-16)26-27(22,23)25-11-10-20(3,4)5/h6-9,15H,1,10-13H2,2-5H3,(H-,18,19,22,23)