[1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate

Systemtic Name: [1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate Openeye Name: [1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate CAS Name: [1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate IUPAC Name: [1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate Traditional Name: [1-[3-(cyanomethyl)phenyl]-2-(dimethylamino)ethyl] dihydrogen phosphate Formula: C12H17N2O4P MolecularWeight: 284.248141

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC(=C1)CC#N)OP(=O)(O)O

Isomeric SMILES

CN(C)CC(C1=CC=CC(=C1)CC#N)OP(=O)(O)O

InChI

InChI=1S/C12H17N2O4P/c1-14(2)9-12(18-19(15,16)17)11-5-3-4-10(8-11)6-7-13/h3-5,8,12H,6,9H2,1-2H3,(H2,15,16,17)