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

Systemtic Name: 1-(3-chlorophenyl)-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 2-benzyl-1-(3-chlorophenyl)-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-(3-chlorophenyl)-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 2-benzyl-1-(3-chlorophenyl)-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 2-benzyl-1-(3-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(=CC=C3)Cl)CC4=CC=CC=C4.[I-]

Isomeric SMILES

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

InChI

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