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

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Openeye Name: 4-methylbenzenesulfonate; 4-methyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole CAS Name: 4-methylbenzenesulfonate; 4-methyl-2-(1-methyl-4-pyridin-1-iumyl)-5-phenyloxazole IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Traditional Name: 4-methyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole tosylate Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC(=N1)C2=CC=[N+](C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC(=N1)C2=CC=[N+](C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C16H15N2O.C7H8O3S/c1-12-15(13-6-4-3-5-7-13)19-16(17-12)14-8-10-18(2)11-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1