4-methylbenzenesulfonate; prop-2-enamide; trimethyl(propyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; prop-2-enamide; trimethyl(propyl)azanium Openeye Name: 4-methylbenzenesulfonate; prop-2-enamide; trimethyl(propyl)ammonium CAS Name: 4-methylbenzenesulfonate; 2-propenamide; trimethyl(propyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; prop-2-enamide; trimethyl(propyl)azanium Traditional Name: acrylamide; trimethyl(propyl)ammonium; tosylate Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H16N.C3H5NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-6-7(2,3)4;1-2-3(4)5/h2-5H,1H3,(H,8,9,10);5-6H2,1-4H3;2H,1H2,(H2,4,5)/q;+1;/p-1