N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide

Systemtic Name: N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide Openeye Name: N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide CAS Name: N-[4-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]phenyl]methanesulfonamide iodide IUPAC Name: N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide Traditional Name: N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide Formula: C13H18IN3O2S MolecularWeight: 407.27039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCC2=CC=C(C=C2)NS(=O)(=O)C.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCC2=CC=C(C=C2)NS(=O)(=O)C.[I-]

InChI

InChI=1S/C13H18N3O2S.HI/c1-15-9-10-16(11-15)8-7-12-3-5-13(6-4-12)14-19(2,17)18;/h3-6,9-11,14H,7-8H2,1-2H3;1H/q+1;/p-1