methyl (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: methyl (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: methyl (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1S)-6,7-dimethoxy-1-p-anisyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylic acid methyl ester Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(C3=CC(=C(C=C3CC[NH2+]2)OC)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[C@]2(C3=CC(=C(C=C3CC[NH2+]2)OC)OC)C(=O)OC

InChI

InChI=1S/C21H25NO5/c1-24-16-7-5-14(6-8-16)13-21(20(23)27-4)17-12-19(26-3)18(25-2)11-15(17)9-10-22-21/h5-8,11-12,22H,9-10,13H2,1-4H3/p+1/t21-/m0/s1