2,3,3-trimethyl-4H-isoquinolin-2-ium iodide

Systemtic Name: 2,3,3-trimethyl-4H-isoquinolin-2-ium iodide Openeye Name: 2,3,3-trimethyl-4H-isoquinolin-2-ium iodide CAS Name: 2,3,3-trimethyl-4H-isoquinolin-2-ium iodide IUPAC Name: 2,3,3-trimethyl-4H-isoquinolin-2-ium iodide Traditional Name: 2,3,3-trimethyl-4H-isoquinolin-2-ium iodide Formula: C12H16IN MolecularWeight: 301.16661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N.HI/c1-12(2)8-10-6-4-5-7-11(10)9-13(12)3;/h4-7,9H,8H2,1-3H3;1H/q+1;/p-1