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

Systemtic Name: 4-chloranyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole; 4-methylbenzenesulfonate Openeye Name: 4-chloro-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole; 4-methylbenzenesulfonate CAS Name: 4-chloro-2-(1-methyl-4-pyridin-1-iumyl)-5-phenyloxazole; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole; 4-methylbenzenesulfonate Traditional Name: 4-chloro-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole tosylate Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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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)Cl

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)Cl

InChI

InChI=1S/C15H12ClN2O.C7H8O3S/c1-18-9-7-12(8-10-18)15-17-14(16)13(19-15)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1