dimethyl-phenyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-phenyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate Openeye Name: benzyl-dimethyl-phenyl-ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-phenyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-dimethyl-phenylazanium; 4-methylbenzenesulfonate Traditional Name: benzyl-dimethyl-phenyl-ammonium tosylate Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N.C7H8O3S/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1