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

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2-chloro-4-nitroanilino)-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-20(2)17(12-4-7-14(24-3)8-5-12)11-19-16-9-6-13(21(22)23)10-15(16)18/h4-10,17,19H,11H2,1-3H3/p+1/t17-/m1/s1