3,3-dimethylbutan-2-yl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 3,3-dimethylbutan-2-yl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 1,2,2-trimethylpropyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 1,2,2-trimethylpropyl ester Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20NO2/c1-10(13(2,3)4)16-12(15)11-7-6-8-14(5)9-11/h6-10H,1-5H3/q+1