4-methylbenzenesulfonate; 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium Traditional Name: 1,2,3-trimethylimidazo[4,5-b]quinoxalin-3-ium tosylate Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=NC3=CC=CC=C3N=C2N1C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=NC3=CC=CC=C3N=C2N1C)C

InChI

InChI=1S/C12H13N4.C7H8O3S/c1-8-15(2)11-12(16(8)3)14-10-7-5-4-6-9(10)13-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1