2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]ethanoic acid trihydrobromide

Systemtic Name: 2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]ethanoic acid trihydrobromide Openeye Name: 2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]acetic acid trihydrobromide CAS Name: 2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]acetic acid trihydrobromide IUPAC Name: 2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]acetic acid trihydrobromide Traditional Name: 2-[(6Z)-2,3,4,8-tetrahydro-1H-1,5-diazocin-5-yl]acetic acid trihydrobromide Formula: C16H31Br3N4O4 MolecularWeight: 583.15374

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=CN(C1)CC(=O)O.C1CNCC=CN(C1)CC(=O)O.Br.Br.Br

Isomeric SMILES

C1CN(/C=C\CNC1)CC(=O)O.C1CN(/C=C\CNC1)CC(=O)O.Br.Br.Br

InChI

InChI=1S/2C8H14N2O2.3BrH/c2*11-8(12)7-10-5-1-3-9-4-2-6-10;;;/h2*1,5,9H,2-4,6-7H2,(H,11,12);3*1H/b2*5-1-;;;