4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide

Systemtic Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide Openeye Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide CAS Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide IUPAC Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide Traditional Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butyronitrile iodide Formula: C16H21IN2 MolecularWeight: 368.25581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[N+]1C)CCCC#N)C.[I-]

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[N+]1C)CCCC#N)C.[I-]

InChI

InChI=1S/C16H21N2.HI/c1-16(2)12-13-8-4-5-9-14(13)15(18(16)3)10-6-7-11-17;/h4-5,8-9H,6-7,10,12H2,1-3H3;1H/q+1;/p-1