4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O2/c25-16-12-24(15-5-2-1-4-14(15)21-16)17(26)13-22-8-10-23(11-9-22)18-19-6-3-7-20-18/h1-7H,8-13H2,(H,21,25)/p+1