4-[[5-[3-(diethylazaniumyl)propylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-[3-(diethylazaniumyl)propylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[3-(diethylammonio)propylamino]-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[3-(diethylammonio)propylamino]-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[3-(diethylazaniumyl)propylamino]pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[3-(diethylammonio)propylamino]-2-pyridyl]amino]-4-keto-butyrate Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3/c1-3-20(4-2)11-5-10-17-13-6-7-14(18-12-13)19-15(21)8-9-16(22)23/h6-7,12,17H,3-5,8-11H2,1-2H3,(H,22,23)(H,18,19,21)