2-(4-butan-2-ylpyridin-1-ium-1-yl)but-3-enoate

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)but-3-enoate Openeye Name: 2-(4-sec-butylpyridin-1-ium-1-yl)but-3-enoate CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)-3-butenoate IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)but-3-enoate Traditional Name: 2-(4-sec-butylpyridin-1-ium-1-yl)but-3-enoate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-4-10(3)11-6-8-14(9-7-11)12(5-2)13(15)16/h5-10,12H,2,4H2,1,3H3