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

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H24FN6O2+ MolecularWeight: 411.452663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23FN6O2/c1-26(13-16-3-5-17(22)6-4-16)20(29)18-15-30-19(25-18)14-27-9-11-28(12-10-27)21-23-7-2-8-24-21/h2-8,15H,9-14H2,1H3/p+1