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

Systemtic Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(cyanomethyl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]acetic acid Formula: C9H9N2O2+ MolecularWeight: 177.17996

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CC#N)CC(=O)O

Isomeric SMILES

C1=C[N+](=CC=C1CC#N)CC(=O)O

InChI

InChI=1S/C9H8N2O2/c10-4-1-8-2-5-11(6-3-8)7-9(12)13/h2-3,5-6H,1,7H2/p+1