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

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)oxazole CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(4-fluorophenyl)oxazole IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)oxazole Formula: C20H20BrFN3O3S+ MolecularWeight: 481.358503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H19BrFN3O3S/c21-16-2-1-3-18(12-16)29(26,27)25-10-8-24(9-11-25)14-20-23-13-19(28-20)15-4-6-17(22)7-5-15/h1-7,12-13H,8-11,14H2/p+1