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

Systemtic Name: 5-(2,4-dimethylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Openeye Name: 5-(2,4-dimethylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)oxazole; 4-methylbenzenesulfonate CAS Name: 5-(2,4-dimethylphenyl)-2-(1-ethyl-4-pyridin-1-iumyl)oxazole; 4-methylbenzenesulfonate IUPAC Name: 5-(2,4-dimethylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Traditional Name: 5-(2,4-dimethylphenyl)-2-(1-ethylpyridin-1-ium-4-yl)oxazole tosylate Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2O.C7H8O3S/c1-4-20-9-7-15(8-10-20)18-19-12-17(21-18)16-6-5-13(2)11-14(16)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1