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

Systemtic Name: 5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 5,9-dimethyl-3-(1-pyridin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 5,9-dimethyl-3-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C19H18BrNO3 MolecularWeight: 388.25512

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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=CC=C4)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO3.BrH/c1-12-8-17(21)23-19-13(2)18-16(9-15(12)19)14(11-22-18)10-20-6-4-3-5-7-20;/h3-9,14H,10-11H2,1-2H3;1H/q+1;/p-1