tert-butyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: tert-butyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: tert-butyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid tert-butyl ester Formula: C11H16NO2+ MolecularWeight: 194.25024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO2/c1-11(2,3)14-10(13)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/q+1