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

Systemtic Name: 1-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C17H19FN3S+ MolecularWeight: 316.416263

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3S/c18-15-6-8-16(9-7-15)21-13-20(12-19-17(21)22)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,22)/p+1