4-[(2-ethyl-1-methyl-pyridin-1-ium-3-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-ethyl-1-methyl-pyridin-1-ium-3-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-ethyl-1-methyl-pyridin-1-ium-3-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-ethyl-1-methyl-3-pyridin-1-iumyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-ethyl-1-methylpyridin-1-ium-3-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-ethyl-1-methyl-pyridin-1-ium-3-yl)amino]-4-keto-butyric acid Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=[N+]1C)NC(=O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=CC=[N+]1C)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H16N2O3/c1-3-10-9(5-4-8-14(10)2)13-11(15)6-7-12(16)17/h4-5,8H,3,6-7H2,1-2H3,(H-,13,15,16,17)/p+1