[(1S)-1-(3-fluorophenyl)-2-[(3-methyl-2-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-fluorophenyl)-2-[(3-methyl-2-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-fluorophenyl)-2-[(3-methyl-2-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-fluorophenyl)-2-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-fluorophenyl)-2-[(3-methyl-2-nitrobenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-fluorophenyl)-2-[(3-methyl-2-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C18H21FN3O3+ MolecularWeight: 346.376043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC(C2=CC(=CC=C2)F)[NH+](C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC[C@H](C2=CC(=CC=C2)F)[NH+](C)C

InChI

InChI=1S/C18H20FN3O3/c1-12-6-4-9-15(17(12)22(24)25)18(23)20-11-16(21(2)3)13-7-5-8-14(19)10-13/h4-10,16H,11H2,1-3H3,(H,20,23)/p+1/t16-/m1/s1