N-[[(1R)-2,2-dimethyl-1-phenyl-cyclopropyl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[[(1R)-2,2-dimethyl-1-phenyl-cyclopropyl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[[(1R)-2,2-dimethyl-1-phenyl-cyclopropyl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[[(1R)-2,2-dimethyl-1-phenyl-cyclopropyl]methyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C25H31N6O2+ MolecularWeight: 447.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1(CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C[C@]1(CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H30N6O2/c1-24(2)17-25(24,19-7-4-3-5-8-19)18-28-22(32)20-16-33-21(29-20)15-30-11-13-31(14-12-30)23-26-9-6-10-27-23/h3-10,16H,11-15,17-18H2,1-2H3,(H,28,32)/p+1/t25-/m0/s1