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

Systemtic Name: 3-[2-(4-cyclooctylpiperazin-1-yl)-2-phenyl-ethyl]phenol dihydrobromide Openeye Name: 3-[2-(4-cyclooctylpiperazin-1-yl)-2-phenyl-ethyl]phenol dihydrobromide CAS Name: 3-[2-(4-cyclooctyl-1-piperazinyl)-2-phenylethyl]phenol dihydrobromide IUPAC Name: 3-[2-(4-cyclooctylpiperazin-1-yl)-2-phenylethyl]phenol dihydrobromide Traditional Name: 3-[2-(4-cyclooctylpiperazino)-2-phenyl-ethyl]phenol dihydrobromide Formula: C26H38Br2N2O MolecularWeight: 554.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.Br.Br

Isomeric SMILES

C1CCCC(CCC1)N2CCN(CC2)C(CC3=CC(=CC=C3)O)C4=CC=CC=C4.Br.Br

InChI

InChI=1S/C26H36N2O.2BrH/c29-25-15-9-10-22(20-25)21-26(23-11-5-4-6-12-23)28-18-16-27(17-19-28)24-13-7-2-1-3-8-14-24;;/h4-6,9-12,15,20,24,26,29H,1-3,7-8,13-14,16-19,21H2;2*1H