[(1S)-1-(4-ethylphenyl)-2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]ethyl]-dimethyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)CCC2=NC3=CC=CC=C3NC2=O)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](CNC(=O)CCC2=NC3=CC=CC=C3NC2=O)[NH+](C)C

InChI

InChI=1S/C23H28N4O2/c1-4-16-9-11-17(12-10-16)21(27(2)3)15-24-22(28)14-13-20-23(29)26-19-8-6-5-7-18(19)25-20/h5-12,21H,4,13-15H2,1-3H3,(H,24,28)(H,26,29)/p+1/t21-/m1/s1