3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Formula: C21H22F2N5O+ MolecularWeight: 398.429086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NNC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21F2N5O/c1-14-20(29)24-21(26-25-14)28-12-10-27(11-13-28)19(15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,19H,10-13H2,1H3,(H,24,26,29)/p+1