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

Systemtic Name: 1-methoxy-4-phenyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-methoxy-4-phenyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-methoxy-4-phenylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-methoxy-4-phenylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-methoxy-4-phenyl-pyridin-1-ium tosylate Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12NO.C7H8O3S/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1