2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxylate

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxylate Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-4-pyrimidinecarboxylate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine-4-carboxylate Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxylate Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-19-7-9-20(10-8-19)16-17-13(11-14(18-16)15(21)22)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,21,22)