1-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperazin-2-one

Systemtic Name: 1-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperazin-2-one Openeye Name: 1-phenyl-4-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carbonyl]piperazin-2-one CAS Name: 4-[oxo-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methyl]-1-phenyl-2-piperazinone IUPAC Name: 1-phenyl-4-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-2-one Traditional Name: 1-phenyl-4-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carbonyl]piperazin-2-one Formula: C23H26N7O3+ MolecularWeight: 448.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)N3CCN(C(=O)C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)N3CCN(C(=O)C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H25N7O3/c31-21-16-29(13-14-30(21)18-5-2-1-3-6-18)22(32)19-17-33-20(26-19)15-27-9-11-28(12-10-27)23-24-7-4-8-25-23/h1-8,17H,9-16H2/p+1