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

Systemtic Name: ethyl (3R)-2-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-2-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-m-anisyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-3-24-20(22)19-12-16-8-4-5-9-17(16)14-21(19)13-15-7-6-10-18(11-15)23-2/h4-11,19H,3,12-14H2,1-2H3/p+1/t19-/m1/s1