ethyl (3R)-2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-2-[(4-benzyloxy-3-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-(4-benzoxy-3-methoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C27H30NO4+ MolecularWeight: 432.5314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H29NO4/c1-3-31-27(29)24-16-22-11-7-8-12-23(22)18-28(24)17-21-13-14-25(26(15-21)30-2)32-19-20-9-5-4-6-10-20/h4-15,24H,3,16-19H2,1-2H3/p+1/t24-/m1/s1