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

Systemtic Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Openeye Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole; 4-methylbenzenesulfonate CAS Name: 5-(4-methoxyphenyl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole; 4-methylbenzenesulfonate IUPAC Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Traditional Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole tosylate Formula: C23H22N2O5S MolecularWeight: 438.49618

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O2.C7H8O3S/c1-18-9-7-13(8-10-18)16-17-11-15(20-16)12-3-5-14(19-2)6-4-12;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