1-adamantyl-[[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[2-(benzylamino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-[2-(benzylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CC=C4OCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CC=C4OCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H32N2O2/c29-25(27-16-19-6-2-1-3-7-19)18-30-24-9-5-4-8-23(24)17-28-26-13-20-10-21(14-26)12-22(11-20)15-26/h1-9,20-22,28H,10-18H2,(H,27,29)/p+1