2-[[(E)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(E)-3-(3-bromophenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(E)-3-(3-bromophenyl)-2-(2-keto-1-pyridyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(=CC1=CC(=CC=C1)Br)N2C=CC=CC2=O

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O2/c1-21(2)11-9-20-18(24)16(22-10-4-3-8-17(22)23)13-14-6-5-7-15(19)12-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,24)/p+1/b16-13+