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

Systemtic Name: (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride Openeye Name: benzyl 1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride CAS Name: 1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid (phenylmethyl) ester chloride IUPAC Name: benzyl 1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate chloride Traditional Name: 1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid benzyl ester chloride Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2.ClH/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;1H