4-methylbenzenesulfonate; (phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl)azanium Openeye Name: benzylammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 4-methylbenzenesulfonate Traditional Name: benzylammonium tosylate Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C7H9N.C7H8O3S/c8-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6,8H2;2-5H,1H3,(H,8,9,10)