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

Systemtic Name: 1-butyl-3-quinolin-2-yl-quinolin-1-ium iodide Openeye Name: 1-butyl-3-(2-quinolyl)quinolin-1-ium iodide CAS Name: 1-butyl-3-(2-quinolinyl)quinolin-1-ium iodide IUPAC Name: 1-butyl-3-quinolin-2-ylquinolin-1-ium iodide Traditional Name: 1-butyl-3-(2-quinolyl)quinolin-1-ium iodide Formula: C22H21IN2 MolecularWeight: 440.32001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N2.HI/c1-2-3-14-24-16-19(15-18-9-5-7-11-22(18)24)21-13-12-17-8-4-6-10-20(17)23-21;/h4-13,15-16H,2-3,14H2,1H3;1H/q+1;/p-1