methyl (E)-3-(3,4-diphenylisoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-3-(3,4-diphenylisoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(3,4-diphenylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(3,4-diphenyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(3,4-diphenylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(3,4-diphenylisoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C27H22NO5+ MolecularWeight: 440.46728

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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=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO5/c1-32-26(30)24(25(29)27(31)33-2)28-17-20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23(28)19-13-7-4-8-14-19/h3-17H,1-2H3/p+1