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

Systemtic Name: 6-bromanyl-5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 6-bromo-5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 6-bromo-5,9-dimethyl-3-(1-quinolin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 6-bromo-5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 6-bromo-5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C23H19Br2NO3 MolecularWeight: 517.20986

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=CC5=CC=CC=C54)C)Br.[Br-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(C=C12)C(CO3)C[N+]4=CC=CC5=CC=CC=C54)C)Br.[Br-]

InChI

InChI=1S/C23H19BrNO3.BrH/c1-13-17-10-18-16(11-25-9-5-7-15-6-3-4-8-19(15)25)12-27-21(18)14(2)22(17)28-23(26)20(13)24;/h3-10,16H,11-12H2,1-2H3;1H/q+1;/p-1