1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Openeye Name: 1-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2-quinoxalinone IUPAC Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Traditional Name: 1-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

InChI=1S/C19H20N4O2S/c24-18-12-20-16-5-1-2-6-17(16)23(18)14-19(25)22-9-7-21(8-10-22)13-15-4-3-11-26-15/h1-6,11-12H,7-10,13-14H2/p+1