4-[[6-[2-(dimethylazaniumyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[2-(dimethylazaniumyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[2-(dimethylammonio)ethylamino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[2-(dimethylammonio)ethylamino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[2-(dimethylazaniumyl)ethylamino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[2-(dimethylammonio)ethylamino]-3-pyridyl]amino]-4-keto-butyrate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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