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

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C18H19FN3OS+ MolecularWeight: 344.426363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3OS/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)13-15-12-17(23-20-15)18-2-1-11-24-18/h1-6,11-12H,7-10,13H2/p+1