1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide

Systemtic Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide Openeye Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide CAS Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide IUPAC Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide Traditional Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide Formula: C13H18IN MolecularWeight: 315.19319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(CC2=CC=CC=C12)(C)C)C.[I-]

Isomeric SMILES

CC1=[N+](C(CC2=CC=CC=C12)(C)C)C.[I-]

InChI

InChI=1S/C13H18N.HI/c1-10-12-8-6-5-7-11(12)9-13(2,3)14(10)4;/h5-8H,9H2,1-4H3;1H/q+1;/p-1