5-butyl-1-methyl-pyridin-1-ium-2-carboxylic acid

Systemtic Name: 5-butyl-1-methyl-pyridin-1-ium-2-carboxylic acid Openeye Name: 5-butyl-1-methyl-pyridin-1-ium-2-carboxylic acid CAS Name: 5-butyl-1-methyl-2-pyridin-1-iumcarboxylic acid IUPAC Name: 5-butyl-1-methylpyridin-1-ium-2-carboxylic acid Traditional Name: 5-butyl-1-methyl-pyridin-1-ium-2-carboxylic acid Formula: C11H16NO2+ MolecularWeight: 194.25024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2/c1-3-4-5-9-6-7-10(11(13)14)12(2)8-9/h6-8H,3-5H2,1-2H3/p+1