6-[2-(4-phenylpiperazin-1-yl)ethyl-propyl-amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide

Systemtic Name: 6-[2-(4-phenylpiperazin-1-yl)ethyl-propyl-amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide Openeye Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl-propyl-amino]tetralin-6,7-diol trihydrobromide CAS Name: 6-[2-(4-phenyl-1-piperazinyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide IUPAC Name: 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide Traditional Name: 2-[2-(4-phenylpiperazino)ethyl-propyl-amino]tetralin-6,7-diol trihydrobromide Formula: C25H38Br3N3O2 MolecularWeight: 652.30012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=CC(=C(C=C4C3)O)O.Br.Br.Br

Isomeric SMILES

CCCN(CCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=CC(=C(C=C4C3)O)O.Br.Br.Br

InChI

InChI=1S/C25H35N3O2.3BrH/c1-2-10-27(23-9-8-20-18-24(29)25(30)19-21(20)17-23)14-11-26-12-15-28(16-13-26)22-6-4-3-5-7-22;;;/h3-7,18-19,23,29-30H,2,8-17H2,1H3;3*1H