1,3-di(isoquinolin-2-ium-2-yl)propan-2-ol bromide

Systemtic Name: 1,3-di(isoquinolin-2-ium-2-yl)propan-2-ol bromide Openeye Name: 1,3-di(isoquinolin-2-ium-2-yl)propan-2-ol bromide CAS Name: 1,3-bis(2-isoquinolin-2-iumyl)-2-propanol bromide IUPAC Name: 1,3-di(isoquinolin-2-ium-2-yl)propan-2-ol bromide Traditional Name: 1,3-di(isoquinolin-2-ium-2-yl)propan-2-ol bromide Formula: C21H20BrN2O+ MolecularWeight: 396.3003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(C[N+]3=CC4=CC=CC=C4C=C3)O.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(C[N+]3=CC4=CC=CC=C4C=C3)O.[Br-]

InChI

InChI=1S/C21H20N2O.BrH/c24-21(15-22-11-9-17-5-1-3-7-19(17)13-22)16-23-12-10-18-6-2-4-8-20(18)14-23;/h1-14,21,24H,15-16H2;1H/q+2;/p-1