1-ethyl-4-(3-iodanyl-4-methoxy-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-(3-iodanyl-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-(3-iodo-4-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-(3-iodo-4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-(3-iodo-4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-(3-iodo-4-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C13H20IN2O3S+ MolecularWeight: 411.27897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19IN2O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9H2,1-2H3/p+1