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

Systemtic Name: 1-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Openeye Name: 1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one CAS Name: 1-[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl]-2-quinoxalinone IUPAC Name: 1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Traditional Name: 1-[2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

InChI=1S/C22H24N4O3/c27-21-16-23-19-8-4-5-9-20(19)26(21)17-22(28)25-12-10-24(11-13-25)14-15-29-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2/p+1