ethyl 3-(4-cyanopyridin-1-ium-1-yl)propanoate

Systemtic Name: ethyl 3-(4-cyanopyridin-1-ium-1-yl)propanoate Openeye Name: ethyl 3-(4-cyanopyridin-1-ium-1-yl)propanoate CAS Name: 3-(4-cyano-1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-cyanopyridin-1-ium-1-yl)propanoate Traditional Name: 3-(4-cyanopyridin-1-ium-1-yl)propionic acid ethyl ester Formula: C11H13N2O2+ MolecularWeight: 205.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N2O2/c1-2-15-11(14)5-8-13-6-3-10(9-12)4-7-13/h3-4,6-7H,2,5,8H2,1H3/q+1