2-[(E)-2-(4,4-diethyl-3-oxidanyl-2-oxidanylidene-morpholin-4-ium-3-yl)ethenyl]benzenecarbonitrile bromide

Systemtic Name: 2-[(E)-2-(4,4-diethyl-3-oxidanyl-2-oxidanylidene-morpholin-4-ium-3-yl)ethenyl]benzenecarbonitrile bromide Openeye Name: 2-[(E)-2-(4,4-diethyl-3-hydroxy-2-oxo-morpholin-4-ium-3-yl)vinyl]benzonitrile bromide CAS Name: 2-[(E)-2-(4,4-diethyl-3-hydroxy-2-oxo-3-morpholin-4-iumyl)ethenyl]benzonitrile bromide IUPAC Name: 2-[(E)-2-(4,4-diethyl-3-hydroxy-2-oxomorpholin-4-ium-3-yl)ethenyl]benzonitrile bromide Traditional Name: 2-[(E)-2-(4,4-diethyl-3-hydroxy-2-keto-morpholin-4-ium-3-yl)vinyl]benzonitrile bromide Formula: C17H21BrN2O3 MolecularWeight: 381.26424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCOC(=O)C1(C=CC2=CC=CC=C2C#N)O)CC.[Br-]

Isomeric SMILES

CC[N+]1(CCOC(=O)C1(/C=C/C2=CC=CC=C2C#N)O)CC.[Br-]

InChI

InChI=1S/C17H21N2O3.BrH/c1-3-19(4-2)11-12-22-16(20)17(19,21)10-9-14-7-5-6-8-15(14)13-18;/h5-10,21H,3-4,11-12H2,1-2H3;1H/q+1;/p-1/b10-9+;