4-methylbenzenesulfonate; 1-methylquinoxalin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methylquinoxalin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methylquinoxalin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methylquinoxalin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methylquinoxalin-1-ium Traditional Name: 1-methylquinoxalin-1-ium tosylate Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N2.C7H8O3S/c1-11-7-6-10-8-4-2-3-5-9(8)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1