3-(4-methoxyphenyl)-1-(4-propylpiperazin-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-1-(4-propylpiperazin-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(4-methoxyphenyl)-1-(4-propylpiperazin-1-yl)isoquinoline dihydrochloride CAS Name: 3-(4-methoxyphenyl)-1-(4-propyl-1-piperazinyl)isoquinoline dihydrochloride IUPAC Name: 3-(4-methoxyphenyl)-1-(4-propylpiperazin-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(4-methoxyphenyl)-1-(4-propylpiperazino)isoquinoline dihydrochloride Formula: C23H29Cl2N3O MolecularWeight: 434.40186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C23H27N3O.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;;/h4-11,17H,3,12-16H2,1-2H3;2*1H