2-methyl-4-propyl-isoquinolin-2-ium iodide

Systemtic Name: 2-methyl-4-propyl-isoquinolin-2-ium iodide Openeye Name: 2-methyl-4-propyl-isoquinolin-2-ium iodide CAS Name: 2-methyl-4-propylisoquinolin-2-ium iodide IUPAC Name: 2-methyl-4-propylisoquinolin-2-ium iodide Traditional Name: 2-methyl-4-propyl-isoquinolin-2-ium iodide Formula: C13H16IN MolecularWeight: 313.17731

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](=CC2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCCC1=C[N+](=CC2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C13H16N.HI/c1-3-6-11-9-14(2)10-12-7-4-5-8-13(11)12;/h4-5,7-10H,3,6H2,1-2H3;1H/q+1;/p-1