2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H17N3O3S/c13-12(16)10-14-6-8-15(9-7-14)19(17,18)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)/p+1