[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C23H33FN3O3+ MolecularWeight: 418.524823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32FN3O3/c1-14(27(2)13-15-4-5-20(30-3)19(24)9-15)21(28)25-22(29)26-23-10-16-6-17(11-23)8-18(7-16)12-23/h4-5,9,14,16-18H,6-8,10-13H2,1-3H3,(H2,25,26,28,29)/p+1/t14-,16?,17?,18?,23?/m1/s1