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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C20H22ClN6O2+ MolecularWeight: 413.88068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCC3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCC3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C20H21ClN6O2/c21-16-4-2-15(3-5-16)12-24-19(28)17-14-29-18(25-17)13-26-8-10-27(11-9-26)20-22-6-1-7-23-20/h1-7,14H,8-13H2,(H,24,28)/p+1