(4-fluorophenyl)methyl-[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-fluorophenyl)methyl-[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-fluorophenyl)methyl-[(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-fluorophenyl)methyl-[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-fluorophenyl)methyl-[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-fluorobenzyl)-[(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C18H21FN3O4+ MolecularWeight: 362.375443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4/c1-12(21(2)11-13-4-6-14(19)7-5-13)18(23)20-16-9-8-15(22(24)25)10-17(16)26-3/h4-10,12H,11H2,1-3H3,(H,20,23)/p+1/t12-/m0/s1