6-(2-ethoxyethoxy)-2-methyl-isoquinolin-2-ium bromide hydrate

Systemtic Name: 6-(2-ethoxyethoxy)-2-methyl-isoquinolin-2-ium bromide hydrate Openeye Name: 6-(2-ethoxyethoxy)-2-methyl-isoquinolin-2-ium bromide hydrate CAS Name: 6-(2-ethoxyethoxy)-2-methylisoquinolin-2-ium bromide hydrate IUPAC Name: 6-(2-ethoxyethoxy)-2-methylisoquinolin-2-ium bromide hydrate Traditional Name: 6-(2-ethoxyethoxy)-2-methyl-isoquinolin-2-ium bromide hydrate Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

Isomeric SMILES

CCOCCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

InChI

InChI=1S/C14H18NO2.BrH.H2O/c1-3-16-8-9-17-14-5-4-13-11-15(2)7-6-12(13)10-14;;/h4-7,10-11H,3,8-9H2,1-2H3;1H;1H2/q+1;;/p-1