5-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(3-fluorophenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-pyridin-4-ylethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-[(2S)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]amine Formula: C20H22FN6O+ MolecularWeight: 381.426683

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=NC(=CN=N2)C3=CC(=CC=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC2=NC(=CN=N2)C3=CC(=CC=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C20H21FN6O/c21-17-3-1-2-16(12-17)18-13-24-26-20(25-18)23-14-19(15-4-6-22-7-5-15)27-8-10-28-11-9-27/h1-7,12-13,19H,8-11,14H2,(H,23,25,26)/p+1/t19-/m1/s1