(tert-butylamino)-(3-chloranyl-2-methyl-phenyl)carbonyl-cyano-(3-fluorophenyl)carbonyl-azanium

Systemtic Name: (tert-butylamino)-(3-chloranyl-2-methyl-phenyl)carbonyl-cyano-(3-fluorophenyl)carbonyl-azanium Openeye Name: (tert-butylamino)-(3-chloro-2-methyl-benzoyl)-cyano-(3-fluorobenzoyl)ammonium CAS Name: (tert-butylamino)-[(3-chloro-2-methylphenyl)-oxomethyl]-cyano-[(3-fluorophenyl)-oxomethyl]ammonium IUPAC Name: (tert-butylamino)-(3-chloro-2-methylbenzoyl)-cyano-(3-fluorobenzoyl)azanium Traditional Name: (tert-butylamino)-(3-chloro-2-methyl-benzoyl)-cyano-(3-fluorobenzoyl)ammonium Formula: C20H20ClFN3O2+ MolecularWeight: 388.843103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C(=O)[N+](C#N)(C(=O)C2=CC(=CC=C2)F)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)C(=O)[N+](C#N)(C(=O)C2=CC(=CC=C2)F)NC(C)(C)C

InChI

InChI=1S/C20H20ClFN3O2/c1-13-16(9-6-10-17(13)21)19(27)25(12-23,24-20(2,3)4)18(26)14-7-5-8-15(22)11-14/h5-11,24H,1-4H3/q+1