2-(4-ethoxycarbonylphenoxy)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(4-ethoxycarbonylphenoxy)ethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(4-ethoxycarbonylphenoxy)ethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(4-ethoxycarbonylphenoxy)ethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(4-ethoxycarbonylphenoxy)ethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(4-carbethoxyphenoxy)ethyl-trimethyl-ammonium tosylate Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO3.C7H8O3S/c1-5-17-14(16)12-6-8-13(9-7-12)18-11-10-15(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5,10-11H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1