1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine dihydrobromide

Systemtic Name: 1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine dihydrobromide Openeye Name: 1,4-bis[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]piperazine dihydrobromide CAS Name: 1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine dihydrobromide IUPAC Name: 1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine dihydrobromide Traditional Name: 1,4-bis[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]piperazine dihydrobromide Formula: C26H36Br2N2O4 MolecularWeight: 600.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)CCC4=CC5=C(C=C4)OCO5.Br.Br

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)CCC4=CC5=C(C=C4)OCO5.Br.Br

InChI

InChI=1S/C26H34N2O4.2BrH/c1-19(3-5-21-7-9-23-25(15-21)31-17-29-23)27-11-13-28(14-12-27)20(2)4-6-22-8-10-24-26(16-22)32-18-30-24;;/h7-10,15-16,19-20H,3-6,11-14,17-18H2,1-2H3;2*1H