4-[3-[4-(4-chlorophenyl)-4-phenyl-piperazin-4-ium-1-yl]propyl]isoquinoline dihydrochloride

Systemtic Name: 4-[3-[4-(4-chlorophenyl)-4-phenyl-piperazin-4-ium-1-yl]propyl]isoquinoline dihydrochloride Openeye Name: 4-[3-[4-(4-chlorophenyl)-4-phenyl-piperazin-4-ium-1-yl]propyl]isoquinoline dihydrochloride CAS Name: 4-[3-[4-(4-chlorophenyl)-4-phenyl-1-piperazin-4-iumyl]propyl]isoquinoline dihydrochloride IUPAC Name: 4-[3-[4-(4-chlorophenyl)-4-phenylpiperazin-4-ium-1-yl]propyl]isoquinoline dihydrochloride Traditional Name: 4-[3-[4-(4-chlorophenyl)-4-phenyl-piperazin-4-ium-1-yl]propyl]isoquinoline dihydrochloride Formula: C28H31Cl3N3+ MolecularWeight: 515.92484

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CCCC2=CN=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl

Isomeric SMILES

C1C[N+](CCN1CCCC2=CN=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl

InChI

InChI=1S/C28H29ClN3.2ClH/c29-25-12-14-27(15-13-25)32(26-9-2-1-3-10-26)19-17-31(18-20-32)16-6-8-24-22-30-21-23-7-4-5-11-28(23)24;;/h1-5,7,9-15,21-22H,6,8,16-20H2;2*1H/q+1;;