(phenylmethyl) (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: benzyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid benzyl ester Formula: C19H22NO4+ MolecularWeight: 328.38228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH2+]C(CC2=C1)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C[NH2+][C@@H](CC2=C1)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H21NO4/c1-22-17-9-14-8-16(20-11-15(14)10-18(17)23-2)19(21)24-12-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3/p+1/t16-/m0/s1