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

Systemtic Name: 6-[4-(4-phenylpiperazin-1-yl)butyl-propyl-amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide Openeye Name: 2-[4-(4-phenylpiperazin-1-yl)butyl-propyl-amino]tetralin-6,7-diol trihydrobromide CAS Name: 6-[4-(4-phenyl-1-piperazinyl)butyl-propylamino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide IUPAC Name: 6-[4-(4-phenylpiperazin-1-yl)butyl-propylamino]-5,6,7,8-tetrahydronaphthalene-2,3-diol trihydrobromide Traditional Name: 2-[4-(4-phenylpiperazino)butyl-propyl-amino]tetralin-6,7-diol trihydrobromide Formula: C27H42Br3N3O2 MolecularWeight: 680.35328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=CC(=C(C=C4C3)O)O.Br.Br.Br

Isomeric SMILES

CCCN(CCCCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=CC(=C(C=C4C3)O)O.Br.Br.Br

InChI

InChI=1S/C27H39N3O2.3BrH/c1-2-12-29(25-11-10-22-20-26(31)27(32)21-23(22)19-25)14-7-6-13-28-15-17-30(18-16-28)24-8-4-3-5-9-24;;;/h3-5,8-9,20-21,25,31-32H,2,6-7,10-19H2,1H3;3*1H