1-[2-(3-chloranylpropyl)-5-methoxy-phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 1-[2-(3-chloranylpropyl)-5-methoxy-phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 1-[2-(3-chloropropyl)-5-methoxy-phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-[2-(3-chloropropyl)-5-methoxyphenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-[2-(3-chloropropyl)-5-methoxyphenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 1-[2-(3-chloropropyl)-5-methoxy-phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C20H23Cl2NO2 MolecularWeight: 380.30812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=[NH+]CC2)C3=C(C=CC(=C3)OC)CCCCl.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=[NH+]CC2)C3=C(C=CC(=C3)OC)CCCCl.[Cl-]

InChI

InChI=1S/C20H22ClNO2.ClH/c1-23-16-7-8-18-15(12-16)9-11-22-20(18)19-13-17(24-2)6-5-14(19)4-3-10-21;/h5-8,12-13H,3-4,9-11H2,1-2H3;1H