6,7-dimethoxy-1-pentyl-isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-pentyl-isoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-1-pentyl-isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-pentylisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-1-pentylisoquinolin-2-ium chloride Traditional Name: 1-amyl-6,7-dimethoxy-isoquinolin-2-ium chloride Formula: C16H22ClNO2 MolecularWeight: 295.80438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=[NH+]C=CC2=CC(=C(C=C21)OC)OC.[Cl-]

Isomeric SMILES

CCCCCC1=[NH+]C=CC2=CC(=C(C=C21)OC)OC.[Cl-]

InChI

InChI=1S/C16H21NO2.ClH/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14;/h8-11H,4-7H2,1-3H3;1H