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

Systemtic Name: methyl (E)-4-methoxy-4-oxidanyl-2-oxidanylidene-3-[3-phenyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-2-ium-2-yl]but-3-enoate Openeye Name: methyl (E)-4-hydroxy-4-methoxy-2-oxo-3-[3-phenyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-2-ium-2-yl]but-3-enoate CAS Name: (E)-4-hydroxy-4-methoxy-2-oxo-3-[3-phenyl-4-[4-(trifluoromethyl)phenyl]-2-isoquinolin-2-iumyl]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-hydroxy-4-methoxy-2-oxo-3-[3-phenyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-2-ium-2-yl]but-3-enoate Traditional Name: (E)-4-hydroxy-2-keto-4-methoxy-3-[3-phenyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-2-ium-2-yl]but-3-enoic acid methyl ester Formula: C28H21F3NO5+ MolecularWeight: 508.46525

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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)C4=CC=C(C=C4)C(F)(F)F)O

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)/O

InChI

InChI=1S/C28H20F3NO5/c1-36-26(34)24(25(33)27(35)37-2)32-16-19-10-6-7-11-21(19)22(23(32)18-8-4-3-5-9-18)17-12-14-20(15-13-17)28(29,30)31/h3-16H,1-2H3/p+1