3-[(1-ethylpyridin-1-ium-4-yl)methylideneamino]propanoic acid

Systemtic Name: 3-[(1-ethylpyridin-1-ium-4-yl)methylideneamino]propanoic acid Openeye Name: 3-[(1-ethylpyridin-1-ium-4-yl)methyleneamino]propanoic acid CAS Name: 3-[(1-ethyl-4-pyridin-1-iumyl)methylideneamino]propanoic acid IUPAC Name: 3-[(1-ethylpyridin-1-ium-4-yl)methylideneamino]propanoic acid Traditional Name: 3-[(1-ethylpyridin-1-ium-4-yl)methyleneamino]propionic acid Formula: C11H15N2O2+ MolecularWeight: 207.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O2/c1-2-13-7-4-10(5-8-13)9-12-6-3-11(14)15/h4-5,7-9H,2-3,6H2,1H3/p+1