4-methylbenzenesulfonate; 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium Traditional Name: 1,2,3-trimethyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium tosylate Formula: C15H20N4O3S MolecularWeight: 336.4093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C2=NC=CN=C2N1C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1[NH+](C2=NC=CN=C2N1C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H12N4.C7H8O3S/c1-6-11(2)7-8(12(6)3)10-5-4-9-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,1-3H3;2-5H,1H3,(H,8,9,10)