1-ethyl-4-(4-iodophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-(4-iodophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-(4-iodophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-(4-iodophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-(4-iodophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-(4-iodophenyl)sulfonyl-piperazin-1-ium Formula: C12H18IN2O2S+ MolecularWeight: 381.25299

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H17IN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3/p+1