[(1S)-1-(2-methoxyphenyl)-2-[(3-nitropyridin-2-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-nitropyridin-2-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-nitro-2-pyridyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-nitro-2-pyridinyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-nitropyridin-2-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-nitro-2-pyridyl)amino]ethyl]-dimethyl-ammonium Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=CC=N1)[N+](=O)[O-])C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=CC=N1)[N+](=O)[O-])C2=CC=CC=C2OC

InChI

InChI=1S/C16H20N4O3/c1-19(2)14(12-7-4-5-9-15(12)23-3)11-18-16-13(20(21)22)8-6-10-17-16/h4-10,14H,11H2,1-3H3,(H,17,18)/p+1/t14-/m1/s1