2-cyanoethanoate; dimethyl(2-oxidanylpropyl)azanium

Systemtic Name: 2-cyanoethanoate; dimethyl(2-oxidanylpropyl)azanium Openeye Name: 2-cyanoacetate; 2-hydroxypropyl(dimethyl)ammonium CAS Name: 2-cyanoacetate; 2-hydroxypropyl(dimethyl)ammonium IUPAC Name: 2-cyanoacetate; 2-hydroxypropyl(dimethyl)azanium Traditional Name: 2-cyanoacetate; 2-hydroxypropyl(dimethyl)ammonium Formula: C8H16N2O3 MolecularWeight: 188.22424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)O.C(C#N)C(=O)[O-]

Isomeric SMILES

CC(C[NH+](C)C)O.C(C#N)C(=O)[O-]

InChI

InChI=1S/C5H13NO.C3H3NO2/c1-5(7)4-6(2)3;4-2-1-3(5)6/h5,7H,4H2,1-3H3;1H2,(H,5,6)