(2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)propan-2-ol dibromide

Systemtic Name: (2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)propan-2-ol dibromide Openeye Name: (2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)propan-2-ol dibromide CAS Name: (2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)-2-propanol dibromide IUPAC Name: (2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)propan-2-ol dibromide Traditional Name: (2S)-1-(1,4,7-triazonane-4,7-diium-1-yl)propan-2-ol dibromide Formula: C9H23Br2N3O MolecularWeight: 349.10642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH2+]CC[NH2+]CC1)O.[Br-].[Br-]

Isomeric SMILES

C[C@@H](CN1CC[NH2+]CC[NH2+]CC1)O.[Br-].[Br-]

InChI

InChI=1S/C9H21N3O.2BrH/c1-9(13)8-12-6-4-10-2-3-11-5-7-12;;/h9-11,13H,2-8H2,1H3;2*1H/t9-;;/m0../s1