2-butyl-6-ethoxy-isoquinolin-2-ium iodide

Systemtic Name: 2-butyl-6-ethoxy-isoquinolin-2-ium iodide Openeye Name: 2-butyl-6-ethoxy-isoquinolin-2-ium iodide CAS Name: 2-butyl-6-ethoxyisoquinolin-2-ium iodide IUPAC Name: 2-butyl-6-ethoxyisoquinolin-2-ium iodide Traditional Name: 2-butyl-6-ethoxy-isoquinolin-2-ium iodide Formula: C15H20INO MolecularWeight: 357.22987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC2=C(C=C1)C=C(C=C2)OCC.[I-]

Isomeric SMILES

CCCC[N+]1=CC2=C(C=C1)C=C(C=C2)OCC.[I-]

InChI

InChI=1S/C15H20NO.HI/c1-3-5-9-16-10-8-13-11-15(17-4-2)7-6-14(13)12-16;/h6-8,10-12H,3-5,9H2,1-2H3;1H/q+1;/p-1