N-(2-adamantyl)-4-(phenylmethyl)piperazin-1-amine hydrate dihydrochloride

Systemtic Name: N-(2-adamantyl)-4-(phenylmethyl)piperazin-1-amine hydrate dihydrochloride Openeye Name: N-(2-adamantyl)-4-benzyl-piperazin-1-amine hydrate dihydrochloride CAS Name: N-(2-adamantyl)-4-(phenylmethyl)-1-piperazinamine hydrate dihydrochloride IUPAC Name: N-(2-adamantyl)-4-benzylpiperazin-1-amine hydrate dihydrochloride Traditional Name: 2-adamantyl-(4-benzylpiperazino)amine hydrate dihydrochloride Formula: C21H35Cl2N3O MolecularWeight: 416.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)NC3C4CC5CC(C4)CC3C5.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)NC3C4CC5CC(C4)CC3C5.O.Cl.Cl

InChI

InChI=1S/C21H31N3.2ClH.H2O/c1-2-4-16(5-3-1)15-23-6-8-24(9-7-23)22-21-19-11-17-10-18(13-19)14-20(21)12-17;;;/h1-5,17-22H,6-15H2;2*1H;1H2