[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-(diphenylmethyl)azanium

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-(diphenylmethyl)azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-benzhydryl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-(diphenylmethyl)ammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-benzhydrylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-benzhydryl-ammonium Formula: C26H33N2O+ MolecularWeight: 389.55302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH2+]C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH2+]C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N2O/c1-18(25(29)28-26-15-19-12-20(16-26)14-21(13-19)17-26)27-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,18-21,24,27H,12-17H2,1H3,(H,28,29)/p+1/t18-,19?,20?,21?,26?/m1/s1