4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(4-bromophenyl)sulfonylethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-2-one Traditional Name: 4-(2-brosylethyl)piperazin-4-ium-2-one Formula: C12H16BrN2O3S+ MolecularWeight: 348.23604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H15BrN2O3S/c13-10-1-3-11(4-2-10)19(17,18)8-7-15-6-5-14-12(16)9-15/h1-4H,5-9H2,(H,14,16)/p+1