4-(4-ethylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-pyrimidinecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC=C2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC=C2C(=O)[O-]

InChI

InChI=1S/C11H16N4O2/c1-2-14-3-5-15(6-4-14)10-9(11(16)17)7-12-8-13-10/h7-8H,2-6H2,1H3,(H,16,17)