3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-thienyl)-1H-imidazo[4,5-b]quinoxalin-3-ium CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium Traditional Name: 3-piperonyl-2-(2-thienyl)-1H-imidazo[4,5-b]quinoxalin-3-ium Formula: C21H15N4O2S+ MolecularWeight: 387.4344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[N+]3=C(NC4=NC5=CC=CC=C5N=C43)C6=CC=CS6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[N+]3=C(NC4=NC5=CC=CC=C5N=C43)C6=CC=CS6

InChI

InChI=1S/C21H14N4O2S/c1-2-5-15-14(4-1)22-19-21(23-15)25(20(24-19)18-6-3-9-28-18)11-13-7-8-16-17(10-13)27-12-26-16/h1-10H,11-12H2/p+1