(3-chlorophenyl)methylazanium; 4-methylbenzenesulfonate

Systemtic Name: (3-chlorophenyl)methylazanium; 4-methylbenzenesulfonate Openeye Name: (3-chlorophenyl)methylammonium; 4-methylbenzenesulfonate CAS Name: (3-chlorophenyl)methylammonium; 4-methylbenzenesulfonate IUPAC Name: (3-chlorophenyl)methylazanium; 4-methylbenzenesulfonate Traditional Name: (3-chlorobenzyl)ammonium tosylate Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8ClN.C7H8O3S/c8-7-3-1-2-6(4-7)5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5,9H2;2-5H,1H3,(H,8,9,10)