tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-2-ium-2-carboxylate

Systemtic Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-2-ium-2-carboxylate Openeye Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-2-ium-2-carboxylate CAS Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-2-ium-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,4-dihydroisoquinolin-2-ium-2-carboxylate Traditional Name: (1S)-6,7-dimethoxy-1-veratryl-1,4-dihydroisoquinolin-2-ium-2-carboxylic acid tert-butyl ester Formula: C25H32NO6+ MolecularWeight: 442.52468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1=CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1=CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C25H32NO6/c1-25(2,3)32-24(27)26-11-10-17-14-22(30-6)23(31-7)15-18(17)19(26)12-16-8-9-20(28-4)21(13-16)29-5/h8-9,11,13-15,19H,10,12H2,1-7H3/q+1/t19-/m0/s1