3-(4-methoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)isoquinoline dihydrochloride Openeye Name: 1-(4-allylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline dihydrochloride CAS Name: 3-(4-methoxyphenyl)-1-(4-prop-2-enyl-1-piperazinyl)isoquinoline dihydrochloride IUPAC Name: 3-(4-methoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)isoquinoline dihydrochloride Traditional Name: 1-(4-allylpiperazino)-3-(4-methoxyphenyl)isoquinoline dihydrochloride Formula: C23H27Cl2N3O MolecularWeight: 432.38598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC=C.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC=C.Cl.Cl

InChI

InChI=1S/C23H25N3O.2ClH/c1-3-12-25-13-15-26(16-14-25)23-21-7-5-4-6-19(21)17-22(24-23)18-8-10-20(27-2)11-9-18;;/h3-11,17H,1,12-16H2,2H3;2*1H