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

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-(4-fluorophenyl)-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]oxazole IUPAC Name: 5-(4-fluorophenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-(4-fluorophenyl)-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C18H19FN3O3S2+ MolecularWeight: 408.490163

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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=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18FN3O3S2/c19-15-5-3-14(4-6-15)16-12-20-17(25-16)13-21-7-9-22(10-8-21)27(23,24)18-2-1-11-26-18/h1-6,11-12H,7-10,13H2/p+1