3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O5S/c1-28-18-5-3-17(4-6-18)22-15-20(30-23-22)16-24-11-13-25(14-12-24)31(26,27)21-9-7-19(29-2)8-10-21/h3-10,15H,11-14,16H2,1-2H3/p+1