ethanenitrile; 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium

Systemtic Name: ethanenitrile; 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium Openeye Name: acetonitrile; 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium CAS Name: acetonitrile; 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium IUPAC Name: acetonitrile; 4-methylbenzenesulfonate; 4-methylmorpholin-4-ium Traditional Name: acetonitrile; 4-methylmorpholin-4-ium; tosylate Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H11NO.C2H3N/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-2-4-7-5-3-6;1-2-3/h2-5H,1H3,(H,8,9,10);2-5H2,1H3;1H3