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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O.C7H8O3S/c1-2-18-10-8-14(9-11-18)16-17-12-15(19-16)13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1