1-(3-methylbutyl)-3-quinolin-2-yl-quinolin-1-ium iodide

Systemtic Name: 1-(3-methylbutyl)-3-quinolin-2-yl-quinolin-1-ium iodide Openeye Name: 1-isopentyl-3-(2-quinolyl)quinolin-1-ium iodide CAS Name: 1-(3-methylbutyl)-3-(2-quinolinyl)quinolin-1-ium iodide IUPAC Name: 1-(3-methylbutyl)-3-quinolin-2-ylquinolin-1-ium iodide Traditional Name: 1-isoamyl-3-(2-quinolyl)quinolin-1-ium iodide Formula: C23H23IN2 MolecularWeight: 454.34659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N2.HI/c1-17(2)13-14-25-16-20(15-19-8-4-6-10-23(19)25)22-12-11-18-7-3-5-9-21(18)24-22;/h3-12,15-17H,13-14H2,1-2H3;1H/q+1;/p-1