ethyl 1-butylpyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-butylpyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-butylpyridin-1-ium-3-carboxylate CAS Name: 1-butyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-butylpyridin-1-ium-3-carboxylate Traditional Name: 1-butylpyridin-1-ium-3-carboxylic acid ethyl ester Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO2/c1-3-5-8-13-9-6-7-11(10-13)12(14)15-4-2/h6-7,9-10H,3-5,8H2,1-2H3/q+1