4-methylbenzenesulfonate; triethyl-(phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 4-methylbenzenesulfonate Traditional Name: benzyl(triethyl)ammonium tosylate Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N.C7H8O3S/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-6-2-4-7(5-3-6)11(8,9)10/h7-11H,4-6,12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1