2-[4-(2-methylbutan-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(2-methylbutan-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(1,1-dimethylpropyl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(2-methylbutan-2-yl)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[4-(2-methylbutan-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-(4-tert-amylpyridin-1-ium-1-yl)acetate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=[N+](C=C1)CC(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=[N+](C=C1)CC(=O)[O-]

InChI

InChI=1S/C12H17NO2/c1-4-12(2,3)10-5-7-13(8-6-10)9-11(14)15/h5-8H,4,9H2,1-3H3