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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-5-(4-methyl-1-piperazin-4-iumyl)oxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole Formula: C23H26N3O6S+ MolecularWeight: 472.53404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S/c1-25-9-11-26(12-10-25)23-22(24-21(32-23)16-3-5-17(29-2)6-4-16)33(27,28)18-7-8-19-20(15-18)31-14-13-30-19/h3-8,15H,9-14H2,1-2H3/p+1