2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid Openeye Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid CAS Name: 2-[4-(cyanomethyl)-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid Traditional Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propionic acid Formula: C10H11N2O2+ MolecularWeight: 191.20654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2/c1-8(10(13)14)12-6-3-9(2-5-11)4-7-12/h3-4,6-8H,2H2,1H3/p+1