6-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-fluorophenyl)methyl]-3-[2-(4-morpholin-4-iumyl)ethylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-fluorobenzyl)-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Formula: C16H21FN5O2+ MolecularWeight: 334.368643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H20FN5O2/c17-13-3-1-12(2-4-13)11-14-15(23)19-16(21-20-14)18-5-6-22-7-9-24-10-8-22/h1-4H,5-11H2,(H2,18,19,21,23)/p+1