1-bromanyl-3-(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide

Systemtic Name: 1-bromanyl-3-(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Openeye Name: 1-bromo-3-(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide CAS Name: 1-bromo-3-(3-methyl-2-isoquinolin-2-iumyl)-2-propanol bromide IUPAC Name: 1-bromo-3-(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Traditional Name: 1-bromo-3-(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Formula: C13H15Br2NO MolecularWeight: 361.0723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(CBr)O.[Br-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(CBr)O.[Br-]

InChI

InChI=1S/C13H15BrNO.BrH/c1-10-6-11-4-2-3-5-12(11)8-15(10)9-13(16)7-14;/h2-6,8,13,16H,7,9H2,1H3;1H/q+1;/p-1