5-(2-fluorophenyl)-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(2-fluorophenyl)-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2-fluorophenyl)-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2-fluorophenyl)-N-methyl-N-[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2-fluorophenyl)-N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2-fluorophenyl)-1,2,4-triazin-3-yl]-methyl-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C16H21FN5+ MolecularWeight: 302.369843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CN(C)C2=NC(=CN=N2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCC[C@H]1CN(C)C2=NC(=CN=N2)C3=CC=CC=C3F

InChI

InChI=1S/C16H20FN5/c1-21-9-5-6-12(21)11-22(2)16-19-15(10-18-20-16)13-7-3-4-8-14(13)17/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3/p+1/t12-/m0/s1