methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate

Systemtic Name: methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate Openeye Name: methyl 2-(1-methylpyridin-1-ium-4-yl)acetate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(1-methylpyridin-1-ium-4-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid methyl ester Formula: C9H12NO2+ MolecularWeight: 166.19708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(=O)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(=O)OC

InChI

InChI=1S/C9H12NO2/c1-10-5-3-8(4-6-10)7-9(11)12-2/h3-6H,7H2,1-2H3/q+1