(4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-ethyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-ethyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-ethyl-[2-keto-2-(4-morpholinoanilino)ethyl]ammonium Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H25FN4O2/c1-2-26(15-18-4-3-17(14-24)13-21(18)23)16-22(28)25-19-5-7-20(8-6-19)27-9-11-29-12-10-27/h3-8,13H,2,9-12,15-16H2,1H3,(H,25,28)/p+1