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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C18H21FN3O4+ MolecularWeight: 362.375443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4/c1-12(18(23)20-15-6-4-5-7-16(15)22(24)25)21(2)11-13-8-9-17(26-3)14(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,23)/p+1/t12-/m1/s1