2-dodecyl-3-methyl-isoquinolin-2-ium iodide

Systemtic Name: 2-dodecyl-3-methyl-isoquinolin-2-ium iodide Openeye Name: 2-dodecyl-3-methyl-isoquinolin-2-ium iodide CAS Name: 2-dodecyl-3-methylisoquinolin-2-ium iodide IUPAC Name: 2-dodecyl-3-methylisoquinolin-2-ium iodide Traditional Name: 2-lauryl-3-methyl-isoquinolin-2-ium iodide Formula: C22H34IN MolecularWeight: 439.41653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1C.[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1C.[I-]

InChI

InChI=1S/C22H34N.HI/c1-3-4-5-6-7-8-9-10-11-14-17-23-19-22-16-13-12-15-21(22)18-20(23)2;/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3;1H/q+1;/p-1