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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC=C2OC

InChI

InChI=1S/C18H20ClN3O4/c1-21(2)16(13-6-4-5-7-17(13)26-3)11-20-18(23)12-8-9-14(19)15(10-12)22(24)25/h4-10,16H,11H2,1-3H3,(H,20,23)/p+1/t16-/m1/s1