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

Systemtic Name: (phenylmethyl) (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: benzyl (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid benzyl ester Formula: C17H18NO2+ MolecularWeight: 268.33032

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/p+1/t16-/m0/s1