2-[[(2S)-3-(4-bromophenyl)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-3-(4-bromophenyl)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-3-(4-bromophenyl)-1,3-dioxo-2-(2-oxo-1-pyridinyl)propyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-3-(4-bromophenyl)-3-oxo-2-(2-oxopyridin-1-yl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-3-(4-bromophenyl)-3-keto-2-(2-keto-1-pyridyl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(C(=O)C1=CC=C(C=C1)Br)N2C=CC=CC2=O

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H](C(=O)C1=CC=C(C=C1)Br)N2C=CC=CC2=O

InChI

InChI=1S/C18H20BrN3O3/c1-21(2)12-10-20-18(25)16(22-11-4-3-5-15(22)23)17(24)13-6-8-14(19)9-7-13/h3-9,11,16H,10,12H2,1-2H3,(H,20,25)/p+1/t16-/m0/s1