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

Systemtic Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[(4-brosylpiperazin-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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