N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23N6O2+ MolecularWeight: 379.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2/c1-15-3-5-16(6-4-15)17-13-19(28-24-17)23-18(27)14-25-9-11-26(12-10-25)20-21-7-2-8-22-20/h2-8,13H,9-12,14H2,1H3,(H,23,27)/p+1