methyl (E)-3-(4-bromanyl-3-butyl-7-fluoranyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-3-(4-bromanyl-3-butyl-7-fluoranyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(4-bromo-3-butyl-7-fluoro-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(4-bromo-3-butyl-7-fluoro-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromo-3-butyl-7-fluoroisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(4-bromo-3-butyl-7-fluoro-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C19H20BrFNO5+ MolecularWeight: 441.268203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C2C=C(C=CC2=C1Br)F)C(=C(O)OC)C(=O)C(=O)OC

Isomeric SMILES

CCCCC1=[N+](C=C2C=C(C=CC2=C1Br)F)/C(=C(\O)/OC)/C(=O)C(=O)OC

InChI

InChI=1S/C19H19BrFNO5/c1-4-5-6-14-15(20)13-8-7-12(21)9-11(13)10-22(14)16(18(24)26-2)17(23)19(25)27-3/h7-10H,4-6H2,1-3H3/p+1