6-(2-methoxyethoxy)-2-methyl-isoquinolin-2-ium chloride hydrate

Systemtic Name: 6-(2-methoxyethoxy)-2-methyl-isoquinolin-2-ium chloride hydrate Openeye Name: 6-(2-methoxyethoxy)-2-methyl-isoquinolin-2-ium chloride hydrate CAS Name: 6-(2-methoxyethoxy)-2-methylisoquinolin-2-ium chloride hydrate IUPAC Name: 6-(2-methoxyethoxy)-2-methylisoquinolin-2-ium chloride hydrate Traditional Name: 6-(2-methoxyethoxy)-2-methyl-isoquinolin-2-ium chloride hydrate Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCOC.O.[Cl-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCOC.O.[Cl-]

InChI

InChI=1S/C13H16NO2.ClH.H2O/c1-14-6-5-11-9-13(16-8-7-15-2)4-3-12(11)10-14;;/h3-6,9-10H,7-8H2,1-2H3;1H;1H2/q+1;;/p-1