5,9-dimethyl-7-oxidanylidene-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide

Systemtic Name: 5,9-dimethyl-7-oxidanylidene-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Openeye Name: 5,9-dimethyl-7-oxo-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide CAS Name: 5,9-dimethyl-7-oxo-2-(1-pyridin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-6-carbonitrile bromide IUPAC Name: 5,9-dimethyl-7-oxo-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Traditional Name: 7-keto-5,9-dimethyl-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC=C4)C=C12)C)C#N.[Br-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC=C4)C=C12)C)C#N.[Br-]

InChI

InChI=1S/C20H17N2O3.BrH/c1-12-16-9-14-8-15(11-22-6-4-3-5-7-22)24-18(14)13(2)19(16)25-20(23)17(12)10-21;/h3-7,9,15H,8,11H2,1-2H3;1H/q+1;/p-1