[3,5-bis(bromanyl)-2-[(4-fluorophenyl)carbonylamino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [3,5-bis(bromanyl)-2-[(4-fluorophenyl)carbonylamino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: cyclohexyl-[[3,5-dibromo-2-[(4-fluorobenzoyl)amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3,5-dibromo-2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3,5-dibromo-2-[(4-fluorobenzoyl)amino]phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[3,5-dibromo-2-[(4-fluorobenzoyl)amino]benzyl]-methyl-ammonium Formula: C21H24Br2FN2O+ MolecularWeight: 499.234463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)F)Br)Br)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)F)Br)Br)C3CCCCC3

InChI

InChI=1S/C21H23Br2FN2O/c1-26(18-5-3-2-4-6-18)13-15-11-16(22)12-19(23)20(15)25-21(27)14-7-9-17(24)10-8-14/h7-12,18H,2-6,13H2,1H3,(H,25,27)/p+1