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

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)but-3-enoic acid Openeye Name: 2-(4-sec-butylpyridin-1-ium-1-yl)but-3-enoic acid CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)-3-butenoic acid IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)but-3-enoic acid Traditional Name: 2-(4-sec-butylpyridin-1-ium-1-yl)but-3-enoic acid Formula: C13H18NO2+ MolecularWeight: 220.28752

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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/p+1