1-[2-(4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride

Systemtic Name: 1-[2-(4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride Openeye Name: 1-[2-(4,4-dimethylisochroman-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride CAS Name: 1-[2-(4,4-dimethyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride IUPAC Name: 1-[2-(4,4-dimethyl-1,3-dihydroisochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride Traditional Name: 1-[2-(4,4-dimethylisochroman-1-yl)ethyl]-4-(4-fluorophenyl)piperazine hydrate dihydrochloride Formula: C23H33Cl2FN2O2 MolecularWeight: 459.424723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F)C.O.Cl.Cl

Isomeric SMILES

CC1(COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F)C.O.Cl.Cl

InChI

InChI=1S/C23H29FN2O.2ClH.H2O/c1-23(2)17-27-22(20-5-3-4-6-21(20)23)11-12-25-13-15-26(16-14-25)19-9-7-18(24)8-10-19;;;/h3-10,22H,11-17H2,1-2H3;2*1H;1H2