6-(3-methoxypropoxy)-2-methyl-isoquinolin-2-ium chloride hydrate

Systemtic Name: 6-(3-methoxypropoxy)-2-methyl-isoquinolin-2-ium chloride hydrate Openeye Name: 6-(3-methoxypropoxy)-2-methyl-isoquinolin-2-ium chloride hydrate CAS Name: 6-(3-methoxypropoxy)-2-methylisoquinolin-2-ium chloride hydrate IUPAC Name: 6-(3-methoxypropoxy)-2-methylisoquinolin-2-ium chloride hydrate Traditional Name: 6-(3-methoxypropoxy)-2-methyl-isoquinolin-2-ium chloride hydrate Formula: C14H20ClNO3 MolecularWeight: 285.7665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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