2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole; 4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonate

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole; 4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonate Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole; 4-(5-phenyloxazol-2-yl)benzenesulfonate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-phenyloxazole; 4-(5-phenyl-2-oxazolyl)benzenesulfonate IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole; 4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole; 4-(5-phenyloxazol-2-yl)besylate Formula: C30H23N3O5S MolecularWeight: 537.58572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N2O.C15H11NO4S/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;17-21(18,19)13-8-6-12(7-9-13)15-16-10-14(20-15)11-4-2-1-3-5-11/h2-11H,1H3;1-10H,(H,17,18,19)/q+1;/p-1