6-bromanyl-5,9-dimethyl-3-[(4-methylpyridin-1-ium-1-yl)methyl]-2,3-dihydrofuro[3,2-g]chromen-7-one iodide

Systemtic Name: 6-bromanyl-5,9-dimethyl-3-[(4-methylpyridin-1-ium-1-yl)methyl]-2,3-dihydrofuro[3,2-g]chromen-7-one iodide Openeye Name: 6-bromo-5,9-dimethyl-3-[(4-methylpyridin-1-ium-1-yl)methyl]-2,3-dihydrofuro[3,2-g]chromen-7-one iodide CAS Name: 6-bromo-5,9-dimethyl-3-[(4-methyl-1-pyridin-1-iumyl)methyl]-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one iodide IUPAC Name: 6-bromo-5,9-dimethyl-3-[(4-methylpyridin-1-ium-1-yl)methyl]-2,3-dihydrofuro[3,2-g]chromen-7-one iodide Traditional Name: 6-bromo-5,9-dimethyl-3-[(4-methylpyridin-1-ium-1-yl)methyl]-2,3-dihydrofuro[3,2-g]chromen-7-one iodide Formula: C20H19BrINO3 MolecularWeight: 528.17823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2COC3=C2C=C4C(=C(C(=O)OC4=C3C)Br)C.[I-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2COC3=C2C=C4C(=C(C(=O)OC4=C3C)Br)C.[I-]

InChI

InChI=1S/C20H19BrNO3.HI/c1-11-4-6-22(7-5-11)9-14-10-24-18-13(3)19-15(8-16(14)18)12(2)17(21)20(23)25-19;/h4-8,14H,9-10H2,1-3H3;1H/q+1;/p-1