3-[2-(4-cyclopentylpiperazin-1-yl)-2-phenyl-ethyl]phenol hydrate dihydrobromide

Systemtic Name: 3-[2-(4-cyclopentylpiperazin-1-yl)-2-phenyl-ethyl]phenol hydrate dihydrobromide Openeye Name: 3-[2-(4-cyclopentylpiperazin-1-yl)-2-phenyl-ethyl]phenol hydrate dihydrobromide CAS Name: 3-[2-(4-cyclopentyl-1-piperazinyl)-2-phenylethyl]phenol hydrate dihydrobromide IUPAC Name: 3-[2-(4-cyclopentylpiperazin-1-yl)-2-phenylethyl]phenol hydrate dihydrobromide Traditional Name: 3-[2-(4-cyclopentylpiperazino)-2-phenyl-ethyl]phenol hydrate dihydrobromide Formula: C23H34Br2N2O2 MolecularWeight: 530.33626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.O.Br.Br

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.O.Br.Br

InChI

InChI=1S/C23H30N2O.2BrH.H2O/c26-22-12-6-7-19(17-22)18-23(20-8-2-1-3-9-20)25-15-13-24(14-16-25)21-10-4-5-11-21;;;/h1-3,6-9,12,17,21,23,26H,4-5,10-11,13-16,18H2;2*1H;1H2