3-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methyl-propanoate

Systemtic Name: 3-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methyl-propanoate Openeye Name: 2-methyl-3-(4-sec-butylpyridin-1-ium-1-yl)propanoate CAS Name: 3-(4-butan-2-yl-1-pyridin-1-iumyl)-2-methylpropanoate IUPAC Name: 3-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methylpropanoate Traditional Name: 2-methyl-3-(4-sec-butylpyridin-1-ium-1-yl)propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-4-10(2)12-5-7-14(8-6-12)9-11(3)13(15)16/h5-8,10-11H,4,9H2,1-3H3