[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]-$l^{3}-iodanyl] ester IUPAC Name: [hydroxy-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]iodinanyl] ester Formula: C18H20IN2O4S+ MolecularWeight: 487.33187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)CN3C=C[N+](=C3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)CN3C=C[N+](=C3)C)O

InChI

InChI=1S/C18H20IN2O4S/c1-15-3-9-18(10-4-15)26(23,24)25-19(22)17-7-5-16(6-8-17)13-21-12-11-20(2)14-21/h3-12,14,22H,13H2,1-2H3/q+1