4-methylbenzenesulfonate; 4-methylmorpholin-4-ium-4-carbonitrile

Systemtic Name: 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium-4-carbonitrile Openeye Name: 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium-4-carbonitrile CAS Name: 4-methylbenzenesulfonate; 4-methyl-4-morpholin-4-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium-4-carbonitrile Traditional Name: 4-methylmorpholin-4-ium-4-carbonitrile tosylate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)C#N

InChI

InChI=1S/C7H8O3S.C6H11N2O/c1-6-2-4-7(5-3-6)11(8,9)10;1-8(6-7)2-4-9-5-3-8/h2-5H,1H3,(H,8,9,10);2-5H2,1H3/q;+1/p-1