[5-bromanyl-2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-cyclohexyl-azanium

Systemtic Name: [5-bromanyl-2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-cyclohexyl-azanium Openeye Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclohexyl-ammonium CAS Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclohexylammonium IUPAC Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclohexylazanium Traditional Name: [5-bromo-2-[2-keto-2-(phenethylamino)ethoxy]benzyl]-cyclohexyl-ammonium Formula: C23H30BrN2O2+ MolecularWeight: 446.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H29BrN2O2/c24-20-11-12-22(19(15-20)16-26-21-9-5-2-6-10-21)28-17-23(27)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,21,26H,2,5-6,9-10,13-14,16-17H2,(H,25,27)/p+1