4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoic acid dihydrochloride

Systemtic Name: 4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoic acid dihydrochloride Openeye Name: 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]butanoic acid dihydrochloride CAS Name: 4-hydroxy-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]butanoic acid dihydrochloride IUPAC Name: 4-hydroxy-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoic acid dihydrochloride Traditional Name: 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]butyric acid dihydrochloride Formula: C21H35Cl2N3O4 MolecularWeight: 464.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CCO)C(=O)O.Cl.Cl

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CCO)C(=O)O.Cl.Cl

InChI

InChI=1S/C21H33N3O4.2ClH/c25-16-8-20(21(26)27)28-19-3-1-18(2-4-19)24-14-12-23(13-15-24)11-7-17-5-9-22-10-6-17;;/h1-4,17,20,22,25H,5-16H2,(H,26,27);2*1H