1,4,7-trimethyl-10-methylsulfonyl-10-aza-1,4,7-triazoniacyclododecane

Systemtic Name: 1,4,7-trimethyl-10-methylsulfonyl-10-aza-1,4,7-triazoniacyclododecane Openeye Name: 1,4,7-trimethyl-10-methylsulfonyl-10-aza-1,4,7-triazoniacyclododecane CAS Name: 1,4,7-trimethyl-10-methylsulfonyl-10-aza-1,4,7-triazoniacyclododecane IUPAC Name: 1,4,7-trimethyl-10-methylsulfonyl-10-aza-1,4,7-triazoniacyclododecane Traditional Name: 1-mesyl-4,7,10-trimethyl-1-aza-4,7,10-triazoniacyclododecane Formula: C12H31N4O2S+3 MolecularWeight: 295.46514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CCN(CC[NH+](CC1)C)S(=O)(=O)C)C

Isomeric SMILES

C[NH+]1CC[NH+](CCN(CC[NH+](CC1)C)S(=O)(=O)C)C

InChI

InChI=1S/C12H28N4O2S/c1-13-5-7-14(2)9-11-16(19(4,17)18)12-10-15(3)8-6-13/h5-12H2,1-4H3/p+3