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

Systemtic Name: methyl (E)-3-(4-bromanyl-3-butyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(4-bromo-3-butyl-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(4-bromo-3-butyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromo-3-butylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(4-bromo-3-butyl-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C19H21BrNO5+ MolecularWeight: 423.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C=[N+]1C(=C(O)OC)C(=O)C(=O)OC)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=[N+]1/C(=C(\O)/OC)/C(=O)C(=O)OC)Br

InChI

InChI=1S/C19H20BrNO5/c1-4-5-10-14-15(20)13-9-7-6-8-12(13)11-21(14)16(18(23)25-2)17(22)19(24)26-3/h6-9,11H,4-5,10H2,1-3H3/p+1