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

Systemtic Name: methyl 4-oxidanylidene-4-(pyridin-1-ium-1-ylamino)butanoate Openeye Name: methyl 4-oxo-4-(pyridin-1-ium-1-ylamino)butanoate CAS Name: 4-oxo-4-(1-pyridin-1-iumylamino)butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(pyridin-1-ium-1-ylamino)butanoate Traditional Name: 4-keto-4-(pyridin-1-ium-1-ylamino)butyric acid methyl ester Formula: C10H13N2O3+ MolecularWeight: 209.22182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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