6-bromanyl-5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide

Systemtic Name: 6-bromanyl-5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 6-bromo-5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 6-bromo-5,9-dimethyl-3-(1-pyridin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 6-bromo-5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 6-bromo-5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C19H17Br2NO3 MolecularWeight: 467.15118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(C=C12)C(CO3)C[N+]4=CC=CC=C4)C)Br.[Br-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(C=C12)C(CO3)C[N+]4=CC=CC=C4)C)Br.[Br-]

InChI

InChI=1S/C19H17BrNO3.BrH/c1-11-14-8-15-13(9-21-6-4-3-5-7-21)10-23-17(15)12(2)18(14)24-19(22)16(11)20;/h3-8,13H,9-10H2,1-2H3;1H/q+1;/p-1