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

Systemtic Name: 6-bromanyl-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 6-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 6-bromo-3-[(4-ethyl-1-pyridin-1-iumyl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 6-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 6-bromo-3-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C21H21Br2NO3 MolecularWeight: 495.20434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrNO3.BrH/c1-4-14-5-7-23(8-6-14)10-15-11-25-19-13(3)20-16(9-17(15)19)12(2)18(22)21(24)26-20;/h5-9,15H,4,10-11H2,1-3H3;1H/q+1;/p-1