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

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-17(18-6-3-2-4-7-18)14-25-21(29)19-16-30-20(26-19)15-27-10-12-28(13-11-27)22-23-8-5-9-24-22/h2-9,16-17H,10-15H2,1H3,(H,25,29)/p+1/t17-/m1/s1