1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-2-yl-piperazine hydrate dihydrochloride

Systemtic Name: 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-2-yl-piperazine hydrate dihydrochloride Openeye Name: 1-(2-isochroman-1-ylethyl)-4-(2-pyridyl)piperazine hydrate dihydrochloride CAS Name: 1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(2-pyridinyl)piperazine hydrate dihydrochloride IUPAC Name: 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-2-ylpiperazine hydrate dihydrochloride Traditional Name: 1-(2-isochroman-1-ylethyl)-4-(2-pyridyl)piperazine hydrate dihydrochloride Formula: C20H29Cl2N3O2 MolecularWeight: 414.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=CC=N4.O.Cl.Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=CC=N4.O.Cl.Cl

InChI

InChI=1S/C20H25N3O.2ClH.H2O/c1-2-6-18-17(5-1)9-16-24-19(18)8-11-22-12-14-23(15-13-22)20-7-3-4-10-21-20;;;/h1-7,10,19H,8-9,11-16H2;2*1H;1H2