ethyl 2-(1-ethyl-4,6-dimethyl-pyrimidin-1-ium-2-yl)ethanoate

Systemtic Name: ethyl 2-(1-ethyl-4,6-dimethyl-pyrimidin-1-ium-2-yl)ethanoate Openeye Name: ethyl 2-(1-ethyl-4,6-dimethyl-pyrimidin-1-ium-2-yl)acetate CAS Name: 2-(1-ethyl-4,6-dimethyl-2-pyrimidin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-ethyl-4,6-dimethylpyrimidin-1-ium-2-yl)acetate Traditional Name: 2-(1-ethyl-4,6-dimethyl-pyrimidin-1-ium-2-yl)acetic acid ethyl ester Formula: C12H19N2O2+ MolecularWeight: 223.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(N=C1CC(=O)OCC)C)C

Isomeric SMILES

CC[N+]1=C(C=C(N=C1CC(=O)OCC)C)C

InChI

InChI=1S/C12H19N2O2/c1-5-14-10(4)7-9(3)13-11(14)8-12(15)16-6-2/h7H,5-6,8H2,1-4H3/q+1