1-methyl-4-(methylsulfonylmethyl)-1,4-diazoniabicyclo[2.2.2]octane

Systemtic Name: 1-methyl-4-(methylsulfonylmethyl)-1,4-diazoniabicyclo[2.2.2]octane Openeye Name: 1-methyl-4-(methylsulfonylmethyl)-1,4-diazoniabicyclo[2.2.2]octane CAS Name: 1-methyl-4-(methylsulfonylmethyl)-1,4-diazoniabicyclo[2.2.2]octane IUPAC Name: 1-methyl-4-(methylsulfonylmethyl)-1,4-diazoniabicyclo[2.2.2]octane Traditional Name: 4-(mesylmethyl)-1-methyl-1,4-diazoniabicyclo[2.2.2]octane Formula: C9H20N2O2S+2 MolecularWeight: 220.3323

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CC[N+](CC1)(CC2)CS(=O)(=O)C

Isomeric SMILES

C[N+]12CC[N+](CC1)(CC2)CS(=O)(=O)C

InChI

InChI=1S/C9H20N2O2S/c1-10-3-6-11(7-4-10,8-5-10)9-14(2,12)13/h3-9H2,1-2H3/q+2