dimethyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate Openeye Name: benzyl(dimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: benzyl(dimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: benzyl(dimethyl)ammonium tosylate Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N.C7H8O3S/c1-10(2)8-9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,8H2,1-2H3;2-5H,1H3,(H,8,9,10)