(3-methylimidazol-3-ium-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-methylimidazol-3-ium-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-methylimidazol-3-ium-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-methyl-1-imidazol-3-iumyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-methylimidazol-3-ium-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-methylimidazol-3-ium-1-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C13H17N6O+ MolecularWeight: 273.31368

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H17N6O/c1-16-5-6-19(11-16)13(20)18-9-7-17(8-10-18)12-14-3-2-4-15-12/h2-6,11H,7-10H2,1H3/q+1