3-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-phenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-acetamido-4-(4-fluorophenyl)sulfanyl-benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-acetamido-4-[(4-fluorophenyl)thio]phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-acetamido-4-(4-fluorophenyl)sulfanylbenzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-acetamido-4-[(4-fluorophenyl)thio]benzoyl]amino]propyl-diethyl-ammonium Formula: C22H29FN3O2S+ MolecularWeight: 418.547963

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=O)C

InChI

InChI=1S/C22H28FN3O2S/c1-4-26(5-2)14-6-13-24-22(28)17-7-12-21(20(15-17)25-16(3)27)29-19-10-8-18(23)9-11-19/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,28)(H,25,27)/p+1