2-(8-iodanyloctyl)-3-methyl-isoquinolin-2-ium iodide

Systemtic Name: 2-(8-iodanyloctyl)-3-methyl-isoquinolin-2-ium iodide Openeye Name: 2-(8-iodooctyl)-3-methyl-isoquinolin-2-ium iodide CAS Name: 2-(8-iodooctyl)-3-methylisoquinolin-2-ium iodide IUPAC Name: 2-(8-iodooctyl)-3-methylisoquinolin-2-ium iodide Traditional Name: 2-(8-iodooctyl)-3-methyl-isoquinolin-2-ium iodide Formula: C18H25I2N MolecularWeight: 509.20674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCCCCCCCI.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCCCCCCCI.[I-]

InChI

InChI=1S/C18H25IN.HI/c1-16-14-17-10-6-7-11-18(17)15-20(16)13-9-5-3-2-4-8-12-19;/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3;1H/q+1;/p-1