(5-cyano-2-fluoranyl-phenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-bis[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C28H30FN4O2+ MolecularWeight: 473.561803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=C(C=CC(=C2)C#N)F)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=C(C=CC(=C2)C#N)F)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C28H29FN4O2/c1-18-7-5-8-19(2)27(18)31-25(34)16-33(15-23-13-22(14-30)11-12-24(23)29)17-26(35)32-28-20(3)9-6-10-21(28)4/h5-13H,15-17H2,1-4H3,(H,31,34)(H,32,35)/p+1