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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O3/c1-12-15(8-5-9-16(12)22(24)25)18(23)20-11-17(21(2)3)13-6-4-7-14(19)10-13/h4-10,17H,11H2,1-3H3,(H,20,23)/p+1/t17-/m1/s1