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

Systemtic Name: 6-ethoxy-2-methyl-isoquinolin-2-ium bromide hydrate Openeye Name: 6-ethoxy-2-methyl-isoquinolin-2-ium bromide hydrate CAS Name: 6-ethoxy-2-methylisoquinolin-2-ium bromide hydrate IUPAC Name: 6-ethoxy-2-methylisoquinolin-2-ium bromide hydrate Traditional Name: 6-ethoxy-2-methyl-isoquinolin-2-ium bromide hydrate Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

InChI

InChI=1S/C12H14NO.BrH.H2O/c1-3-14-12-5-4-11-9-13(2)7-6-10(11)8-12;;/h4-9H,3H2,1-2H3;1H;1H2/q+1;;/p-1