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

Systemtic Name: N-[2-(2-chlorophenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[2-(2-chlorophenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[2-(2-chlorophenyl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[2-(2-chlorophenyl)ethyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H24ClN6O2+ MolecularWeight: 427.90726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCC3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCC3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H23ClN6O2/c22-17-5-2-1-4-16(17)6-9-23-20(29)18-15-30-19(26-18)14-27-10-12-28(13-11-27)21-24-7-3-8-25-21/h1-5,7-8,15H,6,9-14H2,(H,23,29)/p+1