[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-(4-fluorobenzyl)-methyl-ammonium Formula: C21H30FN2O+ MolecularWeight: 345.474103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H29FN2O/c1-14(24(2)13-15-3-5-19(22)6-4-15)20(25)23-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,25)/p+1/t14-,16?,17?,18?,21?/m1/s1