butan-2-yl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: butan-2-yl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: sec-butyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid sec-butyl ester Formula: C11H16NO2+ MolecularWeight: 194.25024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO2/c1-4-9(2)14-11(13)10-6-5-7-12(3)8-10/h5-9H,4H2,1-3H3/q+1