4-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-fluoranylphenoxy)butan-2-ol hydrate hydrochloride

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-fluoranylphenoxy)butan-2-ol hydrate hydrochloride Openeye Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenoxy)butan-2-ol hydrate hydrochloride CAS Name: 4-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-fluorophenoxy)-2-butanol hydrate hydrochloride IUPAC Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenoxy)butan-2-ol hydrate hydrochloride Traditional Name: 4-[4-(4-chlorophenyl)piperazino]-1-(4-fluorophenoxy)butan-2-ol hydrate hydrochloride Formula: C20H27Cl2FN2O3 MolecularWeight: 433.344383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(COC2=CC=C(C=C2)F)O)C3=CC=C(C=C3)Cl.O.Cl

Isomeric SMILES

C1CN(CCN1CCC(COC2=CC=C(C=C2)F)O)C3=CC=C(C=C3)Cl.O.Cl

InChI

InChI=1S/C20H24ClFN2O2.ClH.H2O/c21-16-1-5-18(6-2-16)24-13-11-23(12-14-24)10-9-19(25)15-26-20-7-3-17(22)4-8-20;;/h1-8,19,25H,9-15H2;1H;1H2