methyl 1-[3-(4-bromanyl-7-oxidanylidene-furo[3,2-g]chromen-9-yl)oxypropyl]pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[3-(4-bromanyl-7-oxidanylidene-furo[3,2-g]chromen-9-yl)oxypropyl]pyridin-1-ium-4-carboxylate Openeye Name: methyl 1-[3-(4-bromo-7-oxo-furo[3,2-g]chromen-9-yl)oxypropyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[3-[(4-bromo-7-oxo-9-furo[3,2-g][1]benzopyranyl)oxy]propyl]-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-bromo-7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-bromo-7-keto-furo[3,2-g]chromen-9-yl)oxypropyl]pyridin-1-ium-4-carboxylic acid methyl ester Formula: C21H17BrNO6+ MolecularWeight: 459.26678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=[N+](C=C1)CCCOC2=C3C(=C(C4=C2OC(=O)C=C4)Br)C=CO3

Isomeric SMILES

COC(=O)C1=CC=[N+](C=C1)CCCOC2=C3C(=C(C4=C2OC(=O)C=C4)Br)C=CO3

InChI

InChI=1S/C21H17BrNO6/c1-26-21(25)13-5-9-23(10-6-13)8-2-11-27-20-18-15(7-12-28-18)17(22)14-3-4-16(24)29-19(14)20/h3-7,9-10,12H,2,8,11H2,1H3/q+1