methyl 5-(4-azanylpyridin-1-ium-1-yl)-4-oxidanylidene-pentanoate bromide

Systemtic Name: methyl 5-(4-azanylpyridin-1-ium-1-yl)-4-oxidanylidene-pentanoate bromide Openeye Name: methyl 5-(4-aminopyridin-1-ium-1-yl)-4-oxo-pentanoate bromide CAS Name: 5-(4-amino-1-pyridin-1-iumyl)-4-oxopentanoic acid methyl ester bromide IUPAC Name: methyl 5-(4-aminopyridin-1-ium-1-yl)-4-oxopentanoate bromide Traditional Name: 5-(4-aminopyridin-1-ium-1-yl)-4-keto-valeric acid methyl ester bromide Formula: C11H15BrN2O3 MolecularWeight: 303.1524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3.BrH/c1-16-11(15)3-2-10(14)8-13-6-4-9(12)5-7-13;/h4-7,12H,2-3,8H2,1H3;1H