4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(furan-2-yl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(furan-2-yl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-furyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-furanyl)-5-(4-methyl-1-piperazin-4-iumyl)oxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(furan-2-yl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-furyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole Formula: C20H22N3O6S+ MolecularWeight: 432.47018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N3O6S/c1-22-6-8-23(9-7-22)20-19(21-18(29-20)16-3-2-10-26-16)30(24,25)14-4-5-15-17(13-14)28-12-11-27-15/h2-5,10,13H,6-9,11-12H2,1H3/p+1