2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-pyrimidinecarboxylate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carboxylate Formula: C10H14N4O2 MolecularWeight: 222.24376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C10H14N4O2/c1-13-2-4-14(5-3-13)10-11-6-8(7-12-10)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)