2-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)ethanoate

Systemtic Name: 2-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)ethanoate Openeye Name: 2-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)acetate CAS Name: 2-(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)acetate IUPAC Name: 2-(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)acetate Traditional Name: 2-(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)acetate Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CC(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)CC(=O)[O-]

InChI

InChI=1S/C10H13NO3/c1-6-5-11-8(4-9(12)13)7(2)10(6)14-3/h5H,4H2,1-3H3,(H,12,13)