methyl 4-oxidanylidene-4-(pyridin-1-ium-1-ylamino)butanoate chloride

Systemtic Name: methyl 4-oxidanylidene-4-(pyridin-1-ium-1-ylamino)butanoate chloride Openeye Name: methyl 4-oxo-4-(pyridin-1-ium-1-ylamino)butanoate chloride CAS Name: 4-oxo-4-(1-pyridin-1-iumylamino)butanoic acid methyl ester chloride IUPAC Name: methyl 4-oxo-4-(pyridin-1-ium-1-ylamino)butanoate chloride Traditional Name: 4-keto-4-(pyridin-1-ium-1-ylamino)butyric acid methyl ester chloride Formula: C10H13ClN2O3 MolecularWeight: 244.67482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

COC(=O)CCC(=O)N[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C10H12N2O3.ClH/c1-15-10(14)6-5-9(13)11-12-7-3-2-4-8-12;/h2-4,7-8H,5-6H2,1H3;1H