6-chloranyl-1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 6-chloranyl-1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-benzyl-6-chloro-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 6-chloro-1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 2-benzyl-6-chloro-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-benzyl-6-chloro-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Formula: C22H19BrClN MolecularWeight: 412.74996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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