2-cyanoethyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-cyanoethyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: 2-cyanoethyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 2-cyanoethyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: 2-cyanoethyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 2-cyanoethyl(trimethyl)ammonium tosylate Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H13N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-8(2,3)6-4-5-7/h2-5H,1H3,(H,8,9,10);4,6H2,1-3H3/q;+1/p-1