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

Systemtic Name: methyl (E)-4-methoxy-3-[4-(4-methylphenyl)-3-phenyl-isoquinolin-2-ium-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-hydroxy-4-methoxy-2-oxo-3-[3-phenyl-4-(p-tolyl)isoquinolin-2-ium-2-yl]but-3-enoate CAS Name: (E)-4-hydroxy-4-methoxy-3-[4-(4-methylphenyl)-3-phenyl-2-isoquinolin-2-iumyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-hydroxy-4-methoxy-3-[4-(4-methylphenyl)-3-phenylisoquinolin-2-ium-2-yl]-2-oxobut-3-enoate Traditional Name: (E)-4-hydroxy-2-keto-4-methoxy-3-[3-phenyl-4-(p-tolyl)isoquinolin-2-ium-2-yl]but-3-enoic acid methyl ester Formula: C28H24NO5+ MolecularWeight: 454.49386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C([N+](=CC3=CC=CC=C32)C(=C(O)OC)C(=O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([N+](=CC3=CC=CC=C32)/C(=C(\O)/OC)/C(=O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO5/c1-18-13-15-19(16-14-18)23-22-12-8-7-11-21(22)17-29(24(23)20-9-5-4-6-10-20)25(27(31)33-2)26(30)28(32)34-3/h4-17H,1-3H3/p+1