6-ethoxy-2,3-dimethyl-isoquinolin-2-ium bromide hydrate

Systemtic Name: 6-ethoxy-2,3-dimethyl-isoquinolin-2-ium bromide hydrate Openeye Name: 6-ethoxy-2,3-dimethyl-isoquinolin-2-ium bromide hydrate CAS Name: 6-ethoxy-2,3-dimethylisoquinolin-2-ium bromide hydrate IUPAC Name: 6-ethoxy-2,3-dimethylisoquinolin-2-ium bromide hydrate Traditional Name: 6-ethoxy-2,3-dimethyl-isoquinolin-2-ium bromide hydrate Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=[N+](C=C2C=C1)C)C.O.[Br-]

Isomeric SMILES

CCOC1=CC2=CC(=[N+](C=C2C=C1)C)C.O.[Br-]

InChI

InChI=1S/C13H16NO.BrH.H2O/c1-4-15-13-6-5-11-9-14(3)10(2)7-12(11)8-13;;/h5-9H,4H2,1-3H3;1H;1H2/q+1;;/p-1