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

Systemtic Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3,5-dimethyl-2-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3,5-dimethyl-2-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C19H23FNO4S+ MolecularWeight: 380.453623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO4S/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