oxygen(2-); 2-(phenylmethyl)-1,4,7-triazonane; technetium(7+)

Systemtic Name: oxygen(2-); 2-(phenylmethyl)-1,4,7-triazonane; technetium(7+) Openeye Name: 2-benzyl-1,4,7-triazonane; oxygen(2-); technetium(7+) CAS Name: oxygen(2-); 2-(phenylmethyl)-1,4,7-triazonane; technetium(7+) IUPAC Name: 2-benzyl-1,4,7-triazonane; oxygen(2-); technetium(7+) Traditional Name: 2-benzyl-1,4,7-triazonane; oxygen(2-); technetium(7+) Formula: C13H21N3O3Tc+ MolecularWeight: 365.231356

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NCCN1)CC2=CC=CC=C2.[O-2].[O-2].[O-2].[Tc+7]

Isomeric SMILES

C1CNCC(NCCN1)CC2=CC=CC=C2.[O-2].[O-2].[O-2].[Tc+7]

InChI

InChI=1S/C13H21N3.3O.Tc/c1-2-4-12(5-3-1)10-13-11-15-7-6-14-8-9-16-13;;;;/h1-5,13-16H,6-11H2;;;;/q;3*-2;+7