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

Systemtic Name: 1,3-di(quinolin-1-ium-1-yl)propan-2-ol bromide Openeye Name: 1,3-di(quinolin-1-ium-1-yl)propan-2-ol bromide CAS Name: 1,3-bis(1-quinolin-1-iumyl)-2-propanol bromide IUPAC Name: 1,3-di(quinolin-1-ium-1-yl)propan-2-ol bromide Traditional Name: 1,3-di(quinolin-1-ium-1-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(=C1)C=CC=[N+]2CC(C[N+]3=CC=CC4=CC=CC=C43)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CC(C[N+]3=CC=CC4=CC=CC=C43)O.[Br-]

InChI

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