2-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-(dimethylamino)-5-[[(2-fluoroanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H31FN5O2+ MolecularWeight: 416.512243

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2F)N(C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2F)N(C)C

InChI

InChI=1S/C22H30FN5O2/c1-5-28(6-2)14-13-24-21(29)17-15-16(11-12-20(17)27(3)4)25-22(30)26-19-10-8-7-9-18(19)23/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,29)(H2,25,26,30)/p+1