1-(4-chlorophenyl)-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-(4-chlorophenyl)-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 2-benzyl-1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-(4-chlorophenyl)-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 2-benzyl-1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 2-benzyl-1-(4-chlorophenyl)-3,4-dihydroisoquinolin-2-ium iodide Formula: C22H19ClIN MolecularWeight: 459.75043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(C2=CC=CC=C21)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C1C[N+](=C(C2=CC=CC=C21)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H19ClN.HI/c23-20-12-10-19(11-13-20)22-21-9-5-4-8-18(21)14-15-24(22)16-17-6-2-1-3-7-17;/h1-13H,14-16H2;1H/q+1;/p-1