3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C20H21FN3O+ MolecularWeight: 338.398643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O/c21-18-8-4-5-9-19(18)24-12-10-23(11-13-24)15-17-14-20(25-22-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1