2-methyl-4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydroisoquinoline trihydrochloride

Systemtic Name: 2-methyl-4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydroisoquinoline trihydrochloride Openeye Name: 2-methyl-4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydroisoquinoline trihydrochloride CAS Name: 2-methyl-4-phenyl-4-[3-(4-phenyl-1-piperazinyl)propyl]-1,3-dihydroisoquinoline trihydrochloride IUPAC Name: 2-methyl-4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydroisoquinoline trihydrochloride Traditional Name: 2-methyl-4-phenyl-4-[3-(4-phenylpiperazino)propyl]-1,3-dihydroisoquinoline trihydrochloride Formula: C29H38Cl3N3 MolecularWeight: 534.99112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(C1)(CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CN1CC2=CC=CC=C2C(C1)(CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C29H35N3.3ClH/c1-30-23-25-11-8-9-16-28(25)29(24-30,26-12-4-2-5-13-26)17-10-18-31-19-21-32(22-20-31)27-14-6-3-7-15-27;;;/h2-9,11-16H,10,17-24H2,1H3;3*1H