2,4-dimethyl-2,3-dihydro-[1,3]oxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,4-dimethyl-2,3-dihydro-[1,3]oxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate Openeye Name: 2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate CAS Name: 2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 2,4-dimethyl-2,3-dihydro-[1,3]oxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate Traditional Name: 2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium tosylate Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=[N+](C3=CC=CC=C3C=C2O1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1NC2=[N+](C3=CC=CC=C3C=C2O1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O.C7H8O3S/c1-8-13-12-11(15-8)7-9-5-3-4-6-10(9)14(12)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)