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

Systemtic Name: ethyl 3-butylpyridin-1-ium-1-carboxylate chloride Openeye Name: ethyl 3-butylpyridin-1-ium-1-carboxylate chloride CAS Name: 3-butyl-1-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 3-butylpyridin-1-ium-1-carboxylate chloride Traditional Name: 3-butylpyridin-1-ium-1-carboxylic acid ethyl ester chloride Formula: C12H18ClNO2 MolecularWeight: 243.72982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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