4-phenyl-4-[3-(phenylmethyl)piperazin-1-yl]-1-propyl-3H-isoquinoline trihydrochloride

Systemtic Name: 4-phenyl-4-[3-(phenylmethyl)piperazin-1-yl]-1-propyl-3H-isoquinoline trihydrochloride Openeye Name: 4-(3-benzylpiperazin-1-yl)-4-phenyl-1-propyl-3H-isoquinoline trihydrochloride CAS Name: 4-phenyl-4-[3-(phenylmethyl)-1-piperazinyl]-1-propyl-3H-isoquinoline trihydrochloride IUPAC Name: 4-(3-benzylpiperazin-1-yl)-4-phenyl-1-propyl-3H-isoquinoline trihydrochloride Traditional Name: 4-(3-benzylpiperazino)-4-phenyl-1-propyl-3H-isoquinoline trihydrochloride Formula: C29H36Cl3N3 MolecularWeight: 532.97524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NCC(C2=CC=CC=C21)(C3=CC=CC=C3)N4CCNC(C4)CC5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CCCC1=NCC(C2=CC=CC=C21)(C3=CC=CC=C3)N4CCNC(C4)CC5=CC=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C29H33N3.3ClH/c1-2-11-28-26-16-9-10-17-27(26)29(22-31-28,24-14-7-4-8-15-24)32-19-18-30-25(21-32)20-23-12-5-3-6-13-23;;;/h3-10,12-17,25,30H,2,11,18-22H2,1H3;3*1H