[3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodanylbenzenesulfonate

Systemtic Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodanylbenzenesulfonate Openeye Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodobenzenesulfonate CAS Name: 4-iodobenzenesulfonic acid [3,5-dimethyl-2-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-iodobenzenesulfonate Traditional Name: 4-iodobenzenesulfonic acid [3,5-dimethyl-2-(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(=C1)OS(=O)(=O)C2=CC=C(C=C2)I)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)I)C[NH+]3CCOCC3)C

InChI

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