2-(4-butan-2-ylpyridin-1-ium-1-yl)propanoate

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)propanoate Openeye Name: 2-(4-sec-butylpyridin-1-ium-1-yl)propanoate CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)propanoate IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)propanoate Traditional Name: 2-(4-sec-butylpyridin-1-ium-1-yl)propionate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=[N+](C=C1)C(C)C(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=[N+](C=C1)C(C)C(=O)[O-]

InChI

InChI=1S/C12H17NO2/c1-4-9(2)11-5-7-13(8-6-11)10(3)12(14)15/h5-10H,4H2,1-3H3