4-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(4,6-dimethyl-2-pyridin-1-iumyl)amino]-4-oxobutanoate IUPAC Name: 4-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-4-keto-butyrate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C11H14N2O3/c1-7-5-8(2)12-9(6-7)13-10(14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)