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

Systemtic Name: cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]amino]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[2-[[2-(2-isopropylanilino)-2-oxo-ethyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-(2-isopropylanilino)-2-keto-ethyl]amino]benzyl]-methyl-ammonium Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

InChI

InChI=1S/C25H35N3O/c1-19(2)22-14-8-10-16-24(22)27-25(29)17-26-23-15-9-7-11-20(23)18-28(3)21-12-5-4-6-13-21/h7-11,14-16,19,21,26H,4-6,12-13,17-18H2,1-3H3,(H,27,29)/p+1