N-[(1R,2S)-2-phenylcyclopropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(1R,2S)-2-phenylcyclopropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(1R,2S)-2-phenylcyclopropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(1R,2S)-2-phenylcyclopropyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(1R,2S)-2-phenylcyclopropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[(1R,2S)-2-phenylcyclopropyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NC3CC3C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)N[C@@H]3C[C@H]3C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C22H24N6O2/c29-21(26-18-13-17(18)16-5-2-1-3-6-16)19-15-30-20(25-19)14-27-9-11-28(12-10-27)22-23-7-4-8-24-22/h1-8,15,17-18H,9-14H2,(H,26,29)/p+1/t17-,18+/m0/s1