4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)-5-phenyloxazole IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole tosylate Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N2O.C7H8O3S/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1