1,1-dimethylpyrrolidin-1-ium-2-carbonitrile; 4-methylbenzenesulfonate

Systemtic Name: 1,1-dimethylpyrrolidin-1-ium-2-carbonitrile; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethylpyrrolidin-1-ium-2-carbonitrile; 4-methylbenzenesulfonate CAS Name: 1,1-dimethyl-2-pyrrolidin-1-iumcarbonitrile; 4-methylbenzenesulfonate IUPAC Name: 1,1-dimethylpyrrolidin-1-ium-2-carbonitrile; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethylpyrrolidin-1-ium-2-carbonitrile tosylate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCC1C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCC1C#N)C

InChI

InChI=1S/C7H13N2.C7H8O3S/c1-9(2)5-3-4-7(9)6-8;1-6-2-4-7(5-3-6)11(8,9)10/h7H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1