[(1S)-1-(2-chlorophenyl)-2-[(4-methanoyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(4-methanoyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-(4-formyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-(4-formyl-2-nitroanilino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-(4-formyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-(4-formyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C17H19ClN3O3+ MolecularWeight: 348.80406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C17H18ClN3O3/c1-20(2)17(13-5-3-4-6-14(13)18)10-19-15-8-7-12(11-22)9-16(15)21(23)24/h3-9,11,17,19H,10H2,1-2H3/p+1/t17-/m1/s1