1-propyl-3-quinolin-2-yl-quinolin-1-ium iodide

Systemtic Name: 1-propyl-3-quinolin-2-yl-quinolin-1-ium iodide Openeye Name: 1-propyl-3-(2-quinolyl)quinolin-1-ium iodide CAS Name: 1-propyl-3-(2-quinolinyl)quinolin-1-ium iodide IUPAC Name: 1-propyl-3-quinolin-2-ylquinolin-1-ium iodide Traditional Name: 1-propyl-3-(2-quinolyl)quinolin-1-ium iodide Formula: C21H19IN2 MolecularWeight: 426.29343

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

CCC[N+]1=CC(=CC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C21H19N2.HI/c1-2-13-23-15-18(14-17-8-4-6-10-21(17)23)20-12-11-16-7-3-5-9-19(16)22-20;/h3-12,14-15H,2,13H2,1H3;1H/q+1;/p-1