3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide

Systemtic Name: 3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 3-[(4-ethyl-1-pyridin-1-iumyl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2COC3=C2C=C4C(=CC(=O)OC4=C3C)C.[Br-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2COC3=C2C=C4C(=CC(=O)OC4=C3C)C.[Br-]

InChI

InChI=1S/C21H22NO3.BrH/c1-4-15-5-7-22(8-6-15)11-16-12-24-20-14(3)21-17(10-18(16)20)13(2)9-19(23)25-21;/h5-10,16H,4,11-12H2,1-3H3;1H/q+1;/p-1