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

Systemtic Name: benzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Openeye Name: benzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole CAS Name: benzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)-5-phenyloxazole IUPAC Name: benzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole besylate Formula: C21H18N2O4S MolecularWeight: 394.44362

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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)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)S(=O)(=O)[O-]

InChI

InChI=1S/C15H13N2O.C6H6O3S/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3;1-5H,(H,7,8,9)/q+1;/p-1