3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate; 1,2,3-trimethylquinoxalin-1-ium; iodide

Systemtic Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate; 1,2,3-trimethylquinoxalin-1-ium; iodide Openeye Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate; 1,2,3-trimethylquinoxalin-1-ium; iodide CAS Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate; 1,2,3-trimethylquinoxalin-1-ium; iodide IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate; 1,2,3-trimethylquinoxalin-1-ium; iodide Traditional Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; 1,2,3-trimethylquinoxalin-1-ium; iodide; tosylate Formula: C28H32IN3O4S MolecularWeight: 633.54085

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=CC=CC=C2[N+](=C1C)C.[I-]

Isomeric SMILES

CC[N+]1=C(OC2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=CC=CC=C2[N+](=C1C)C.[I-]

InChI

InChI=1S/C11H13N2.C10H12NO.C7H8O3S.HI/c1-8-9(2)13(3)11-7-5-4-6-10(11)12-8;1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10;/h4-7H,1-3H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10);1H/q2*+1;;/p-2