2,4-bis(but-3-yn-2-yl)quinolin-1-ium bromide

Systemtic Name: 2,4-bis(but-3-yn-2-yl)quinolin-1-ium bromide Openeye Name: 2,4-bis(1-methylprop-2-ynyl)quinolin-1-ium bromide CAS Name: 2,4-bis(but-3-yn-2-yl)quinolin-1-ium bromide IUPAC Name: 2,4-bis(but-3-yn-2-yl)quinolin-1-ium bromide Traditional Name: 2,4-bis(1-methylprop-2-ynyl)quinolin-1-ium bromide Formula: C17H16BrN MolecularWeight: 314.21964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)C1=CC(=[NH+]C2=CC=CC=C21)C(C)C#C.[Br-]

Isomeric SMILES

CC(C#C)C1=CC(=[NH+]C2=CC=CC=C21)C(C)C#C.[Br-]

InChI

InChI=1S/C17H15N.BrH/c1-5-12(3)15-11-17(13(4)6-2)18-16-10-8-7-9-14(15)16;/h1-2,7-13H,3-4H3;1H