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

Systemtic Name: methyl (E)-4-methoxy-3-[3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-hydroxy-4-methoxy-3-[3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-4-methoxy-3-[3-(4-methoxyphenyl)-4-phenyl-2-isoquinolin-2-iumyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-hydroxy-4-methoxy-3-[3-(4-methoxyphenyl)-4-phenylisoquinolin-2-ium-2-yl]-2-oxobut-3-enoate Traditional Name: (E)-4-hydroxy-2-keto-4-methoxy-3-[3-(4-methoxyphenyl)-4-phenyl-isoquinolin-2-ium-2-yl]but-3-enoic acid methyl ester Formula: C28H24NO6+ MolecularWeight: 470.49326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=[N+]2C(=C(O)OC)C(=O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=[N+]2/C(=C(\O)/OC)/C(=O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO6/c1-33-21-15-13-19(14-16-21)24-23(18-9-5-4-6-10-18)22-12-8-7-11-20(22)17-29(24)25(27(31)34-2)26(30)28(32)35-3/h4-17H,1-3H3/p+1