[2-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C23H31BrN3O+ MolecularWeight: 445.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3)Br

InChI

InChI=1S/C23H30BrN3O/c1-17-12-13-22(20(24)14-17)26-23(28)15-25-21-11-7-6-8-18(21)16-27(2)19-9-4-3-5-10-19/h6-8,11-14,19,25H,3-5,9-10,15-16H2,1-2H3,(H,26,28)/p+1