2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide

Systemtic Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Openeye Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide CAS Name: 2-[(4-ethyl-1-pyridin-1-iumyl)methyl]-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-6-carbonitrile bromide IUPAC Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Traditional Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-keto-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile bromide Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2CC3=C(O2)C(=C4C(=C3)C(=C(C(=O)O4)C#N)C)C.[Br-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2CC3=C(O2)C(=C4C(=C3)C(=C(C(=O)O4)C#N)C)C.[Br-]

InChI

InChI=1S/C22H21N2O3.BrH/c1-4-15-5-7-24(8-6-15)12-17-9-16-10-18-13(2)19(11-23)22(25)27-21(18)14(3)20(16)26-17;/h5-8,10,17H,4,9,12H2,1-3H3;1H/q+1;/p-1