3-oxidanyl-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]-4-piperidin-1-yl-butan-2-one dihydrochloride

Systemtic Name: 3-oxidanyl-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]-4-piperidin-1-yl-butan-2-one dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-hydroxy-3-phenyl-4-(1-piperidyl)butan-2-one dihydrochloride CAS Name: 3-hydroxy-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]-4-(1-piperidinyl)-2-butanone dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-hydroxy-3-phenyl-4-piperidin-1-ylbutan-2-one dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-hydroxy-3-phenyl-4-piperidino-butan-2-one dihydrochloride Formula: C26H37Cl2N3O2 MolecularWeight: 494.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C26H35N3O2.2ClH/c30-25(21-28-18-16-27(17-19-28)20-23-10-4-1-5-11-23)26(31,24-12-6-2-7-13-24)22-29-14-8-3-9-15-29;;/h1-2,4-7,10-13,31H,3,8-9,14-22H2;2*1H