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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-anilino-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-anilino-2-keto-1-methyl-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C18H22FN2O2+ MolecularWeight: 317.377883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H21FN2O2/c1-13(18(22)20-15-7-5-4-6-8-15)21(2)12-14-9-10-17(23-3)16(19)11-14/h4-11,13H,12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1