4-[[5-(4-ethylpiperazin-4-ium-1-yl)pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-(4-ethylpiperazin-4-ium-1-yl)pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(4-ethylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(4-ethyl-1-piperazin-4-iumyl)-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-(4-ethylpiperazin-4-ium-1-yl)pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(4-ethylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-4-keto-butyrate Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H22N4O3/c1-2-18-7-9-19(10-8-18)12-3-4-13(16-11-12)17-14(20)5-6-15(21)22/h3-4,11H,2,5-10H2,1H3,(H,21,22)(H,16,17,20)