(6-bromanyl-5,9-dimethyl-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-3-yl)methyl-trimethyl-azanium bromide

Systemtic Name: (6-bromanyl-5,9-dimethyl-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-3-yl)methyl-trimethyl-azanium bromide Openeye Name: (6-bromo-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl)methyl-trimethyl-ammonium bromide CAS Name: (6-bromo-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-3-yl)methyl-trimethylammonium bromide IUPAC Name: (6-bromo-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl)methyl-trimethylazanium bromide Traditional Name: (6-bromo-7-keto-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-3-yl)methyl-trimethyl-ammonium bromide Formula: C17H21Br2NO3 MolecularWeight: 447.16154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrNO3.BrH/c1-9-12-6-13-11(7-19(3,4)5)8-21-15(13)10(2)16(12)22-17(20)14(9)18;/h6,11H,7-8H2,1-5H3;1H/q+1;/p-1