dimethyl-(phenylmethyl)-propyl-azanium; 4-methylbenzenesulfonate; 2-methylprop-2-enamide

Systemtic Name: dimethyl-(phenylmethyl)-propyl-azanium; 4-methylbenzenesulfonate; 2-methylprop-2-enamide Openeye Name: benzyl-dimethyl-propyl-ammonium; 4-methylbenzenesulfonate; 2-methylprop-2-enamide CAS Name: dimethyl-(phenylmethyl)-propylammonium; 4-methylbenzenesulfonate; 2-methyl-2-propenamide IUPAC Name: benzyl-dimethyl-propylazanium; 4-methylbenzenesulfonate; 2-methylprop-2-enamide Traditional Name: benzyl-dimethyl-propyl-ammonium; methacrylamide; tosylate Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N.C7H8O3S.C4H7NO/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;1-6-2-4-7(5-3-6)11(8,9)10;1-3(2)4(5)6/h5-9H,4,10-11H2,1-3H3;2-5H,1H3,(H,8,9,10);1H2,2H3,(H2,5,6)/q+1;;/p-1