1-ethyl-4-phenyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-4-phenyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-4-phenyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-4-phenylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-4-phenylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium tosylate Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N.C7H8O3S/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1