4-[[6-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(4-ethylpiperazin-4-ium-1-yl)-4-methylpyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-3-pyridyl]amino]-4-keto-butyrate Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-3-19-6-8-20(9-7-19)14-10-12(2)13(11-17-14)18-15(21)4-5-16(22)23/h10-11H,3-9H2,1-2H3,(H,18,21)(H,22,23)