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

Systemtic Name: 3-phenyl-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-phenyl-isoxazole Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c24-27(25,19-9-5-2-6-10-19)23-13-11-22(12-14-23)16-18-15-20(21-26-18)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1