1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-piperazin-1-yl-butan-2-ol hydrate hydrochloride

Systemtic Name: 1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-piperazin-1-yl-butan-2-ol hydrate hydrochloride Openeye Name: 1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-piperazin-1-yl-butan-2-ol hydrate hydrochloride CAS Name: 1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-(1-piperazinyl)-2-butanol hydrate hydrochloride IUPAC Name: 1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-piperazin-1-ylbutan-2-ol hydrate hydrochloride Traditional Name: 1-(3,5-dimethylphenoxy)-4-(4-fluorophenyl)-4-piperazino-butan-2-ol hydrate hydrochloride Formula: C22H32ClFN2O3 MolecularWeight: 426.952483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CC(C2=CC=C(C=C2)F)N3CCNCC3)O)C.O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CC(C2=CC=C(C=C2)F)N3CCNCC3)O)C.O.Cl

InChI

InChI=1S/C22H29FN2O2.ClH.H2O/c1-16-11-17(2)13-21(12-16)27-15-20(26)14-22(25-9-7-24-8-10-25)18-3-5-19(23)6-4-18;;/h3-6,11-13,20,22,24,26H,7-10,14-15H2,1-2H3;1H;1H2