2-(phenylmethyl)isoquinolin-2-ium iodide

Systemtic Name: 2-(phenylmethyl)isoquinolin-2-ium iodide Openeye Name: 2-benzylisoquinolin-2-ium iodide CAS Name: 2-(phenylmethyl)isoquinolin-2-ium iodide IUPAC Name: 2-benzylisoquinolin-2-ium iodide Traditional Name: 2-benzylisoquinolin-2-ium iodide Formula: C16H14IN MolecularWeight: 347.19353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N.HI/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