N2,N3-bis(prop-2-enyl)quinoxaline-2,3-diamine; 4-methylbenzenesulfonate

Systemtic Name: N2,N3-bis(prop-2-enyl)quinoxaline-2,3-diamine; 4-methylbenzenesulfonate Openeye Name: N2,N3-diallylquinoxaline-2,3-diamine; 4-methylbenzenesulfonate CAS Name: N2,N3-bis(prop-2-enyl)quinoxaline-2,3-diamine; 4-methylbenzenesulfonate IUPAC Name: 2-N,3-N-bis(prop-2-enyl)quinoxaline-2,3-diamine; 4-methylbenzenesulfonate Traditional Name: allyl-[3-(allylamino)quinoxalin-2-yl]amine tosylate Formula: C21H23N4O3S- MolecularWeight: 411.49732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CCNC1=NC2=CC=CC=C2N=C1NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CCNC1=NC2=CC=CC=C2N=C1NCC=C

InChI

InChI=1S/C14H16N4.C7H8O3S/c1-3-9-15-13-14(16-10-4-2)18-12-8-6-5-7-11(12)17-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2,9-10H2,(H,15,17)(H,16,18);2-5H,1H3,(H,8,9,10)/p-1