4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-cyanobenzenesulfinate; 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCN(CC1)CC2.C1=CC(=CC=C1C#N)S(=O)[O-]

Isomeric SMILES

C[N+]12CCN(CC1)CC2.C1=CC(=CC=C1C#N)S(=O)[O-]

InChI

InChI=1S/C7H15N2.C7H5NO2S/c1-9-5-2-8(3-6-9)4-7-9;8-5-6-1-3-7(4-2-6)11(9)10/h2-7H2,1H3;1-4H,(H,9,10)/q+1;/p-1