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

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]phenol Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]phenol CAS Name: 4-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]phenol IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]phenol Traditional Name: 4-(4-besylpiperazin-1-ium-1-yl)phenol Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/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/p+1