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

Systemtic Name: 5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 5,9-dimethyl-3-(1-quinolin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 5,9-dimethyl-3-(quinolin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C23H20BrNO3 MolecularWeight: 438.3138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20NO3.BrH/c1-14-10-21(25)27-23-15(2)22-19(11-18(14)23)17(13-26-22)12-24-9-5-7-16-6-3-4-8-20(16)24;/h3-11,17H,12-13H2,1-2H3;1H/q+1;/p-1