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

Systemtic Name: methyl (E)-3-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(3-butyl-4-phenyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(3-butyl-4-phenylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(3-butyl-4-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C25H26NO5+ MolecularWeight: 420.47764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C=[N+]1C(=C(O)OC)C(=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C=[N+]1/C(=C(\O)/OC)/C(=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO5/c1-4-5-15-20-21(17-11-7-6-8-12-17)19-14-10-9-13-18(19)16-26(20)22(24(28)30-2)23(27)25(29)31-3/h6-14,16H,4-5,15H2,1-3H3/p+1