4-bromanyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-bromo-phenol CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-bromophenol IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-bromophenol Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-bromo-phenol Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O3S/c18-15-6-7-17(21)14(12-15)13-19-8-10-20(11-9-19)24(22,23)16-4-2-1-3-5-16/h1-7,12,21H,8-11,13H2/p+1