6-(2-ethoxyethoxy)-2,3-dimethyl-isoquinolin-2-ium bromide hydrate

Systemtic Name: 6-(2-ethoxyethoxy)-2,3-dimethyl-isoquinolin-2-ium bromide hydrate Openeye Name: 6-(2-ethoxyethoxy)-2,3-dimethyl-isoquinolin-2-ium bromide hydrate CAS Name: 6-(2-ethoxyethoxy)-2,3-dimethylisoquinolin-2-ium bromide hydrate IUPAC Name: 6-(2-ethoxyethoxy)-2,3-dimethylisoquinolin-2-ium bromide hydrate Traditional Name: 6-(2-ethoxyethoxy)-2,3-dimethyl-isoquinolin-2-ium bromide hydrate Formula: C15H22BrNO3 MolecularWeight: 344.24408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC2=CC(=[N+](C=C2C=C1)C)C.O.[Br-]

Isomeric SMILES

CCOCCOC1=CC2=CC(=[N+](C=C2C=C1)C)C.O.[Br-]

InChI

InChI=1S/C15H20NO2.BrH.H2O/c1-4-17-7-8-18-15-6-5-13-11-16(3)12(2)9-14(13)10-15;;/h5-6,9-11H,4,7-8H2,1-3H3;1H;1H2/q+1;;/p-1