2-cyanoethanoic acid; triethyl-(phenylmethyl)azanium

Systemtic Name: 2-cyanoethanoic acid; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 2-cyanoacetic acid CAS Name: 2-cyanoacetic acid; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 2-cyanoacetic acid Traditional Name: benzyl(triethyl)ammonium; 2-cyanoacetic acid Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.C(C#N)C(=O)O

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.C(C#N)C(=O)O

InChI

InChI=1S/C13H22N.C3H3NO2/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;4-2-1-3(5)6/h7-11H,4-6,12H2,1-3H3;1H2,(H,5,6)/q+1;