2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid

Systemtic Name: 2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid CAS Name: 2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid IUPAC Name: 2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid Traditional Name: 2-carbobenzoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid Formula: C18H18NO4+ MolecularWeight: 312.33982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c20-17(21)19(11-10-15-8-4-5-9-16(15)12-19)18(22)23-13-14-6-2-1-3-7-14/h1-9H,10-13H2/p+1