1-[2-(3-chloranylpropyl)-5-methoxy-phenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride

Systemtic Name: 1-[2-(3-chloranylpropyl)-5-methoxy-phenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride Openeye Name: 1-[2-(3-chloropropyl)-5-methoxy-phenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride CAS Name: 1-[2-(3-chloropropyl)-5-methoxyphenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride IUPAC Name: 1-[2-(3-chloropropyl)-5-methoxyphenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride Traditional Name: 1-[2-(3-chloropropyl)-5-methoxy-phenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC(=C(C=C32)OC)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC(=C(C=C32)OC)OC.Cl

InChI

InChI=1S/C21H24ClNO3.ClH/c1-24-16-7-6-14(5-4-9-22)17(12-16)21-18-13-20(26-3)19(25-2)11-15(18)8-10-23-21;/h6-7,11-13H,4-5,8-10H2,1-3H3;1H