1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C17H18ClFN3S+ MolecularWeight: 350.861323

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3S/c18-15-10-14(6-7-16(15)19)22-12-21(11-20-17(22)23)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,23)/p+1