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

Systemtic Name: 2-(4-bromanylphenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C20H20BrFN3OS+ MolecularWeight: 449.359703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=C(S2)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19BrFN3OS/c21-15-1-7-18(8-2-15)26-20-23-13-19(27-20)14-24-9-11-25(12-10-24)17-5-3-16(22)4-6-17/h1-8,13H,9-12,14H2/p+1