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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxamide CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine-4-carboxamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-4-carboxamide Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O/c1-20-7-9-21(10-8-20)16-18-13(11-14(19-16)15(17)22)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,22)/p+1