1-(4-fluorophenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(4-fluorophenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(4-fluorophenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(4-fluorophenyl)-5-[3-(4-morpholin-4-iumyl)propyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(4-fluorophenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(4-fluorophenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H25FN4OS+2 MolecularWeight: 340.459303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH+]2CNC(=S)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1CCC[NH+]2CNC(=S)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H23FN4OS/c17-14-2-4-15(5-3-14)21-13-20(12-18-16(21)23)7-1-6-19-8-10-22-11-9-19/h2-5H,1,6-13H2,(H,18,23)/p+2