2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzylisoquinolin-2-ium bromide CAS Name: 2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzylisoquinolin-2-ium bromide Traditional Name: 2-benzylisoquinolin-2-ium bromide Formula: C16H14BrN MolecularWeight: 300.19306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C16H14N.BrH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1