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

Systemtic Name: 1-[2-(3-chloranylpropyl)phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 1-[2-(3-chloropropyl)phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-[2-(3-chloropropyl)phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-[2-(3-chloropropyl)phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 1-[2-(3-chloropropyl)phenyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C19H21Cl2NO MolecularWeight: 350.28214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=[NH+]CC2)C3=CC=CC=C3CCCCl.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=[NH+]CC2)C3=CC=CC=C3CCCCl.[Cl-]

InChI

InChI=1S/C19H20ClNO.ClH/c1-22-16-8-9-18-15(13-16)10-12-21-19(18)17-7-3-2-5-14(17)6-4-11-20;/h2-3,5,7-9,13H,4,6,10-12H2,1H3;1H