3-[(1-ethylpyridin-1-ium-3-yl)methylideneamino]propanoic acid

Systemtic Name: 3-[(1-ethylpyridin-1-ium-3-yl)methylideneamino]propanoic acid Openeye Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyleneamino]propanoic acid CAS Name: 3-[(1-ethyl-3-pyridin-1-iumyl)methylideneamino]propanoic acid IUPAC Name: 3-[(1-ethylpyridin-1-ium-3-yl)methylideneamino]propanoic acid Traditional Name: 3-[(1-ethylpyridin-1-ium-3-yl)methyleneamino]propionic acid Formula: C11H15N2O2+ MolecularWeight: 207.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O2/c1-2-13-7-3-4-10(9-13)8-12-6-5-11(14)15/h3-4,7-9H,2,5-6H2,1H3/p+1