2-[4-(4-iodophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-iodophenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C12H18IN2O3S+ MolecularWeight: 397.25239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17IN2O3S/c13-11-1-3-12(4-2-11)19(17,18)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2/p+1