1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-[2-(4-phenylbutyl)phenoxy]-3-(4-phenylpiperazino)propan-2-ol dihydrochloride Formula: C29H38Cl2N2O2 MolecularWeight: 517.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2CCCCC3=CC=CC=C3)O)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC=C2CCCCC3=CC=CC=C3)O)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C29H36N2O2.2ClH/c32-28(23-30-19-21-31(22-20-30)27-16-5-2-6-17-27)24-33-29-18-10-9-15-26(29)14-8-7-13-25-11-3-1-4-12-25;;/h1-6,9-12,15-18,28,32H,7-8,13-14,19-24H2;2*1H