5-butyl-4-oxidanylidene-1H-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 5-butyl-4-oxidanylidene-1H-pyridin-1-ium-3-carboxylic acid Openeye Name: 5-butyl-4-oxo-1H-pyridin-1-ium-3-carboxylic acid CAS Name: 5-butyl-4-oxo-1H-pyridin-1-ium-3-carboxylic acid IUPAC Name: 5-butyl-4-oxo-1H-pyridin-1-ium-3-carboxylic acid Traditional Name: 5-butyl-4-keto-1H-pyridin-1-ium-3-carboxylic acid Formula: C10H14NO3+ MolecularWeight: 196.22306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[NH2+]C=C(C1=O)C(=O)O

Isomeric SMILES

CCCCC1=C[NH2+]C=C(C1=O)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-2-3-4-7-5-11-6-8(9(7)12)10(13)14/h5-6H,2-4H2,1H3,(H,11,12)(H,13,14)/p+1