3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclobutyl-1-oxidanyl-1-phenyl-propan-2-one dihydrochloride

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclobutyl-1-oxidanyl-1-phenyl-propan-2-one dihydrochloride Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclobutyl-1-hydroxy-1-phenyl-propan-2-one dihydrochloride CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclobutyl-1-hydroxy-1-phenyl-2-propanone dihydrochloride IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclobutyl-1-hydroxy-1-phenylpropan-2-one dihydrochloride Traditional Name: 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-piperonylpiperazino)acetone dihydrochloride Formula: C25H32Cl2N2O4 MolecularWeight: 495.43858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O.Cl.Cl

Isomeric SMILES

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O.Cl.Cl

InChI

InChI=1S/C25H30N2O4.2ClH/c28-24(25(29,21-7-4-8-21)20-5-2-1-3-6-20)17-27-13-11-26(12-14-27)16-19-9-10-22-23(15-19)31-18-30-22;;/h1-3,5-6,9-10,15,21,29H,4,7-8,11-14,16-18H2;2*1H