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

Systemtic Name: 4-[[6-[3-(dimethylazaniumyl)propylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[3-(dimethylammonio)propylamino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[3-(dimethylammonio)propylamino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[3-(dimethylazaniumyl)propylamino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[3-(dimethylammonio)propylamino]-3-pyridyl]amino]-4-keto-butyrate Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H22N4O3/c1-18(2)9-3-8-15-12-5-4-11(10-16-12)17-13(19)6-7-14(20)21/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)(H,17,19)(H,20,21)