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

Systemtic Name: 1-butyl-3-quinolin-2-yl-quinolin-1-ium Openeye Name: 1-butyl-3-(2-quinolyl)quinolin-1-ium CAS Name: 1-butyl-3-(2-quinolinyl)quinolin-1-ium IUPAC Name: 1-butyl-3-quinolin-2-ylquinolin-1-ium Traditional Name: 1-butyl-3-(2-quinolyl)quinolin-1-ium Formula: C22H21N2+ MolecularWeight: 313.41554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N2/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/q+1