[(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-chloro-4-nitrobenzoyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3/c1-3-22(4-2)18(14-8-6-5-7-9-14)13-21-19(24)16-11-10-15(23(25)26)12-17(16)20/h5-12,18H,3-4,13H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1