ethyl 2-butyl-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-butyl-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-butyl-4,5-dimethyl-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 2-butyl-4,5-dimethyl-1-oxido-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-4,5-dimethyl-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 2-butyl-4,5-dimethyl-1-oxido-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C(C(=C1C(=O)OCC)C)C)[O-]

Isomeric SMILES

CCCCC1=[N+](C=C(C(=C1C(=O)OCC)C)C)[O-]

InChI

InChI=1S/C14H21NO3/c1-5-7-8-12-13(14(16)18-6-2)11(4)10(3)9-15(12)17/h9H,5-8H2,1-4H3