4-[2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C21H22FN6O2+ MolecularWeight: 409.436783

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N4CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N4CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C21H21FN6O2/c22-14-5-6-19-17(11-14)24-25-28(19)15-7-9-26(10-8-15)13-21(30)27-12-20(29)23-16-3-1-2-4-18(16)27/h1-6,11,15H,7-10,12-13H2,(H,23,29)/p+1