[2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodanylbenzenesulfonate

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodanylbenzenesulfonate Openeye Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodobenzenesulfonate CAS Name: 4-iodobenzenesulfonic acid [2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodobenzenesulfonate Traditional Name: 4-iodobenzenesulfonic acid [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C19H23INO4S+ MolecularWeight: 488.35969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H22INO4S/c1-14-12-19(25-26(22,23)18-5-3-17(20)4-6-18)15(2)11-16(14)13-21-7-9-24-10-8-21/h3-6,11-12H,7-10,13H2,1-2H3/p+1