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

Systemtic Name: 5-(3-fluorophenyl)-N-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(3-fluorophenyl)-N-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(3-fluorophenyl)-N-[[(3R)-1-phenethyl-3-piperidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3-fluorophenyl)-N-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]amine Formula: C23H27FN5+ MolecularWeight: 392.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)CNC3=NC(=CN=N3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)CNC3=NC(=CN=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5/c24-21-10-4-9-20(14-21)22-16-26-28-23(27-22)25-15-19-8-5-12-29(17-19)13-11-18-6-2-1-3-7-18/h1-4,6-7,9-10,14,16,19H,5,8,11-13,15,17H2,(H,25,27,28)/p+1/t19-/m1/s1