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

Systemtic Name: ethyl (3R)-2-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-2-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-(4-ethoxy-3-methoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CC3=CC=CC=C3CC2C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)OCC)OC

InChI

InChI=1S/C22H27NO4/c1-4-26-20-11-10-16(12-21(20)25-3)14-23-15-18-9-7-6-8-17(18)13-19(23)22(24)27-5-2/h6-12,19H,4-5,13-15H2,1-3H3/p+1/t19-/m1/s1