2-[dimethyl-[2-[(E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoyl]oxyethyl]azaniumyl]ethyl (phenylmethyl) phosphate

Systemtic Name: 2-[dimethyl-[2-[(E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoyl]oxyethyl]azaniumyl]ethyl (phenylmethyl) phosphate Openeye Name: benzyl 2-[2-[(E)-4-isopropoxy-4-oxo-but-2-enoyl]oxyethyl-dimethyl-ammonio]ethyl phosphate CAS Name: 2-[2-[(E)-1,4-dioxo-4-propan-2-yloxybut-2-enoxy]ethyl-dimethylammonio]ethyl (phenylmethyl) phosphate IUPAC Name: benzyl 2-[dimethyl-[2-[(E)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxyethyl]azaniumyl]ethyl phosphate Traditional Name: benzyl 2-[2-[(E)-4-isopropoxy-4-keto-but-2-enoyl]oxyethyl-dimethyl-ammonio]ethyl phosphate Formula: C20H30NO8P MolecularWeight: 443.427861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C=CC(=O)OCC[N+](C)(C)CCOP(=O)([O-])OCC1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)/C=C/C(=O)OCC[N+](C)(C)CCOP(=O)([O-])OCC1=CC=CC=C1

InChI

InChI=1S/C20H30NO8P/c1-17(2)29-20(23)11-10-19(22)26-14-12-21(3,4)13-15-27-30(24,25)28-16-18-8-6-5-7-9-18/h5-11,17H,12-16H2,1-4H3/b11-10+