[(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-chloro-4-nitrobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-21(2)17(12-5-4-6-14(9-12)26-3)11-20-18(23)15-8-7-13(22(24)25)10-16(15)19/h4-10,17H,11H2,1-3H3,(H,20,23)/p+1/t17-/m1/s1