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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[(4-tosylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S/c1-17-3-9-21(10-4-17)30(26,27)25-13-11-24(12-14-25)16-20-15-22(23-29-20)18-5-7-19(28-2)8-6-18/h3-10,15H,11-14,16H2,1-2H3/p+1