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

Systemtic Name: 5-methoxy-2,4-dimethyl-2,3-dihydro-[1,3]oxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate Openeye Name: 5-methoxy-2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate CAS Name: 5-methoxy-2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 5-methoxy-2,4-dimethyl-2,3-dihydro-[1,3]oxazolo[4,5-b]quinolin-4-ium; 4-methylbenzenesulfonate Traditional Name: 5-methoxy-2,4-dimethyl-2,3-dihydrooxazolo[4,5-b]quinolin-4-ium tosylate Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(O1)C=C3C=CC=C(C3=[N+]2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1NC2=C(O1)C=C3C=CC=C(C3=[N+]2C)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O2.C7H8O3S/c1-8-14-13-11(17-8)7-9-5-4-6-10(16-3)12(9)15(13)2;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)