6-cyclopentyloxy-2-methyl-isoquinolin-2-ium bromide hydrate

Systemtic Name: 6-cyclopentyloxy-2-methyl-isoquinolin-2-ium bromide hydrate Openeye Name: 6-(cyclopentoxy)-2-methyl-isoquinolin-2-ium bromide hydrate CAS Name: 6-cyclopentyloxy-2-methylisoquinolin-2-ium bromide hydrate IUPAC Name: 6-cyclopentyloxy-2-methylisoquinolin-2-ium bromide hydrate Traditional Name: 6-(cyclopentoxy)-2-methyl-isoquinolin-2-ium bromide hydrate Formula: C15H20BrNO2 MolecularWeight: 326.2288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OC3CCCC3.O.[Br-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OC3CCCC3.O.[Br-]

InChI

InChI=1S/C15H18NO.BrH.H2O/c1-16-9-8-12-10-15(7-6-13(12)11-16)17-14-4-2-3-5-14;;/h6-11,14H,2-5H2,1H3;1H;1H2/q+1;;/p-1