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

Systemtic Name: 4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O3S2/c22-26(23,16-5-2-1-3-6-16)21-10-8-20(9-11-21)13-15-14-24-18(19-15)17-7-4-12-25-17/h1-7,12,14H,8-11,13H2/p+1