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

Systemtic Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Openeye Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone CAS Name: [(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Traditional Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazol-4-yl]methanone Formula: C24H31N7O2+2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H29N7O2/c1-28-10-15-31(21(16-28)19-6-3-2-4-7-19)23(32)20-18-33-22(27-20)17-29-11-13-30(14-12-29)24-25-8-5-9-26-24/h2-9,18,21H,10-17H2,1H3/p+2/t21-/m1/s1