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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4)OC

InChI

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