cyanomethyl-diethyl-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: cyanomethyl-diethyl-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: cyanomethyl-diethyl-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: cyanomethyl-diethyl-methylammonium; 4-methylbenzenesulfonate IUPAC Name: cyanomethyl-diethyl-methylazanium; 4-methylbenzenesulfonate Traditional Name: cyanomethyl-diethyl-methyl-ammonium tosylate Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15N2.C7H8O3S/c1-4-9(3,5-2)7-6-8;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1