[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C22H29BrN3O+ MolecularWeight: 431.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC=CC=C2Br)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC=CC=C2Br)C3CCCCC3

InChI

InChI=1S/C22H28BrN3O/c1-26(18-10-3-2-4-11-18)16-17-9-5-7-13-20(17)24-15-22(27)25-21-14-8-6-12-19(21)23/h5-9,12-14,18,24H,2-4,10-11,15-16H2,1H3,(H,25,27)/p+1