[(1S)-2-[(2,6-dimethylphenyl)amino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2,6-dimethylphenyl)amino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-(4-nitrophenyl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2,6-dimethylanilino)-1-(4-nitrophenyl)-2-oxoethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2,6-dimethylanilino)-1-(4-nitrophenyl)-2-oxoethyl]-dimethylazanium Traditional Name: [(1S)-2-(2,6-dimethylanilino)-2-keto-1-(4-nitrophenyl)ethyl]-dimethyl-ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C18H21N3O3/c1-12-6-5-7-13(2)16(12)19-18(22)17(20(3)4)14-8-10-15(11-9-14)21(23)24/h5-11,17H,1-4H3,(H,19,22)/p+1/t17-/m0/s1