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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C22H32FN2O2+ MolecularWeight: 375.500083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2O2/c1-14(25(2)13-15-4-5-20(27-3)19(23)9-15)21(26)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h4-5,9,14,16-18H,6-8,10-13H2,1-3H3,(H,24,26)/p+1/t14-,16?,17?,18?,22?/m1/s1