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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCC1=C[N+](=CC=C1)C(=O)OCC

InChI

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