2-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-fluorophenyl)thio]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-acetamido-4-(4-fluorophenyl)sulfanylbenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-acetamido-4-[(4-fluorophenyl)thio]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C19H23FN3O2S+ MolecularWeight: 376.468223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC[NH+](C)C)SC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC[NH+](C)C)SC2=CC=C(C=C2)F

InChI

InChI=1S/C19H22FN3O2S/c1-13(24)22-17-12-14(19(25)21-10-11-23(2)3)4-9-18(17)26-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)/p+1