4-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]phenol chloride

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]phenol chloride Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]phenol chloride CAS Name: 4-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]phenol chloride IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]phenol chloride Traditional Name: 4-(4-besylpiperazin-1-ium-1-yl)phenol chloride Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H18N2O3S.ClH/c19-15-8-6-14(7-9-15)17-10-12-18(13-11-17)22(20,21)16-4-2-1-3-5-16;/h1-9,19H,10-13H2;1H