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

Systemtic Name: methyl 5-(4-azanylpyridin-1-ium-1-yl)-4-oxidanylidene-pentanoate Openeye Name: methyl 5-(4-aminopyridin-1-ium-1-yl)-4-oxo-pentanoate CAS Name: 5-(4-amino-1-pyridin-1-iumyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(4-aminopyridin-1-ium-1-yl)-4-oxopentanoate Traditional Name: 5-(4-aminopyridin-1-ium-1-yl)-4-keto-valeric acid methyl ester Formula: C11H15N2O3+ MolecularWeight: 223.2484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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