N-ethyl-1-methyl-isoquinolin-2-ium-5-amine iodide

Systemtic Name: N-ethyl-1-methyl-isoquinolin-2-ium-5-amine iodide Openeye Name: N-ethyl-1-methyl-isoquinolin-2-ium-5-amine iodide CAS Name: N-ethyl-1-methyl-5-isoquinolin-2-iumamine iodide IUPAC Name: N-ethyl-1-methylisoquinolin-2-ium-5-amine iodide Traditional Name: ethyl-(1-methylisoquinolin-2-ium-5-yl)amine iodide Formula: C12H15IN2 MolecularWeight: 314.16537

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC2=C1C=C[NH+]=C2C.[I-]

Isomeric SMILES

CCNC1=CC=CC2=C1C=C[NH+]=C2C.[I-]

InChI

InChI=1S/C12H14N2.HI/c1-3-13-12-6-4-5-10-9(2)14-8-7-11(10)12;/h4-8,13H,3H2,1-2H3;1H