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

Systemtic Name: methyl (E)-3-(4-bromanyl-3-phenyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(4-bromo-3-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(4-bromo-3-phenyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromo-3-phenylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(4-bromo-3-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C21H17BrNO5+ MolecularWeight: 443.26738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)Br)O

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)Br)/O

InChI

InChI=1S/C21H16BrNO5/c1-27-20(25)18(19(24)21(26)28-2)23-12-14-10-6-7-11-15(14)16(22)17(23)13-8-4-3-5-9-13/h3-12H,1-2H3/p+1