4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C20H22N3O5S2+ MolecularWeight: 448.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N3O5S2/c24-30(25,16-3-4-17-18(12-16)27-10-9-26-17)23-7-5-22(6-8-23)13-15-14-28-20(21-15)19-2-1-11-29-19/h1-4,11-12,14H,5-10,13H2/p+1