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

Systemtic Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-6-nitro-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-6-nitro-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 2-[(4-ethyl-1-pyridin-1-iumyl)methyl]-5,9-dimethyl-6-nitro-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-6-nitro-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5,9-dimethyl-6-nitro-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O5.BrH/c1-4-14-5-7-22(8-6-14)11-16-9-15-10-17-12(2)18(23(25)26)21(24)28-20(17)13(3)19(15)27-16;/h5-8,10,16H,4,9,11H2,1-3H3;1H/q+1;/p-1