4-[[5-[2-(dimethylazaniumyl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[2-(dimethylazaniumyl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[2-(dimethylammonio)ethylamino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[2-(dimethylammonio)ethylamino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[2-(dimethylazaniumyl)ethylamino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[2-(dimethylammonio)ethylamino]-2-pyridyl]amino]-4-keto-butyrate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-17(2)8-7-14-10-3-4-11(15-9-10)16-12(18)5-6-13(19)20/h3-4,9,14H,5-8H2,1-2H3,(H,19,20)(H,15,16,18)