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

Systemtic Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 2-[(4-ethyl-1-pyridin-1-iumyl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 2-[(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)CC2CC3=C(O2)C(=C4C(=C3)C(=CC(=O)O4)C)C.[Br-]

Isomeric SMILES

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

InChI

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