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

Systemtic Name: 3-[2-(4-cycloheptylpiperazin-1-yl)-2-phenyl-ethyl]phenol dihydrobromide Openeye Name: 3-[2-(4-cycloheptylpiperazin-1-yl)-2-phenyl-ethyl]phenol dihydrobromide CAS Name: 3-[2-(4-cycloheptyl-1-piperazinyl)-2-phenylethyl]phenol dihydrobromide IUPAC Name: 3-[2-(4-cycloheptylpiperazin-1-yl)-2-phenylethyl]phenol dihydrobromide Traditional Name: 3-[2-(4-cycloheptylpiperazino)-2-phenyl-ethyl]phenol dihydrobromide Formula: C25H36Br2N2O MolecularWeight: 540.37414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.Br.Br

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.Br.Br

InChI

InChI=1S/C25H34N2O.2BrH/c28-24-14-8-9-21(19-24)20-25(22-10-4-3-5-11-22)27-17-15-26(16-18-27)23-12-6-1-2-7-13-23;;/h3-5,8-11,14,19,23,25,28H,1-2,6-7,12-13,15-18,20H2;2*1H