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

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylquinolin-1-ium-4-yl)-5-phenyl-1,3-oxazole Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylquinolin-1-ium-4-yl)-5-phenyl-oxazole CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-quinolin-1-iumyl)-5-phenyloxazole IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylquinolin-1-ium-4-yl)-5-phenyl-1,3-oxazole Traditional Name: 2-(1-methylquinolin-1-ium-4-yl)-5-phenyl-oxazole tosylate Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N2O.C7H8O3S/c1-21-12-11-16(15-9-5-6-10-17(15)21)19-20-13-18(22-19)14-7-3-2-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1