methyl 3-oxidanylidenebutanoate; pyridin-1-ium; chloride

Systemtic Name: methyl 3-oxidanylidenebutanoate; pyridin-1-ium; chloride Openeye Name: methyl 3-oxobutanoate; pyridin-1-ium; chloride CAS Name: 3-oxobutanoic acid methyl ester; pyridin-1-ium; chloride IUPAC Name: methyl 3-oxobutanoate; pyridin-1-ium; chloride Traditional Name: 3-ketobutyric acid methyl ester; pyridin-1-ium; chloride Formula: C10H14ClNO3 MolecularWeight: 231.67606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC.C1=CC=[NH+]C=C1.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)OC.C1=CC=[NH+]C=C1.[Cl-]

InChI

InChI=1S/C5H5N.C5H8O3.ClH/c1-2-4-6-5-3-1;1-4(6)3-5(7)8-2;/h1-5H;3H2,1-2H3;1H