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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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