N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide Openeye Name: N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methylallyl)oxazole-4-carboxamide CAS Name: N-ethyl-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-(2-methylprop-2-enyl)-4-oxazolecarboxamide IUPAC Name: N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide Traditional Name: N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methylallyl)oxazole-4-carboxamide Formula: C21H28FN4O2+ MolecularWeight: 387.471023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H27FN4O2/c1-4-25(13-16(2)3)21(27)18-15-28-20(23-18)14-24-9-11-26(12-10-24)19-8-6-5-7-17(19)22/h5-8,15H,2,4,9-14H2,1,3H3/p+1