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

Systemtic Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C20H21BrN3O3S+ MolecularWeight: 463.36804

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c21-17-7-4-8-19(13-17)28(25,26)24-11-9-23(10-12-24)15-18-14-20(22-27-18)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1