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

Systemtic Name: [(1S)-2-[(4-aminocarbonyl-2-nitro-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-carbamoyl-2-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(4-carbamoyl-2-nitroanilino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(4-carbamoyl-2-nitroanilino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(4-carbamoyl-2-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-20(2)16(12-6-4-3-5-7-12)11-19-14-9-8-13(17(18)22)10-15(14)21(23)24/h3-10,16,19H,11H2,1-2H3,(H2,18,22)/p+1/t16-/m1/s1