2-methyl-6-prop-2-enoxy-isoquinolin-2-ium bromide hydrate

Systemtic Name: 2-methyl-6-prop-2-enoxy-isoquinolin-2-ium bromide hydrate Openeye Name: 6-allyloxy-2-methyl-isoquinolin-2-ium bromide hydrate CAS Name: 2-methyl-6-prop-2-enoxyisoquinolin-2-ium bromide hydrate IUPAC Name: 2-methyl-6-prop-2-enoxyisoquinolin-2-ium bromide hydrate Traditional Name: 6-allyloxy-2-methyl-isoquinolin-2-ium bromide hydrate Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NO.BrH.H2O/c1-3-8-15-13-5-4-12-10-14(2)7-6-11(12)9-13;;/h3-7,9-10H,1,8H2,2H3;1H;1H2/q+1;;/p-1