tert-butyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate Openeye Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)acetate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid tert-butyl ester Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC=[N+](C=C1)C

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC=[N+](C=C1)C

InChI

InChI=1S/C12H18NO2/c1-12(2,3)15-11(14)9-10-5-7-13(4)8-6-10/h5-8H,9H2,1-4H3/q+1