2,2-dimethyl-1H-isoquinolin-2-ium iodide

Systemtic Name: 2,2-dimethyl-1H-isoquinolin-2-ium iodide Openeye Name: 2,2-dimethyl-1H-isoquinolin-2-ium iodide CAS Name: 2,2-dimethyl-1H-isoquinolin-2-ium iodide IUPAC Name: 2,2-dimethyl-1H-isoquinolin-2-ium iodide Traditional Name: 2,2-dimethyl-1H-isoquinolin-2-ium iodide Formula: C11H14IN MolecularWeight: 287.14003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC=CC=C2C=C1)C.[I-]

Isomeric SMILES

C[N+]1(CC2=CC=CC=C2C=C1)C.[I-]

InChI

InChI=1S/C11H14N.HI/c1-12(2)8-7-10-5-3-4-6-11(10)9-12;/h3-8H,9H2,1-2H3;1H/q+1;/p-1