1-(3-chlorophenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(3-chlorophenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-chlorophenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chlorophenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-chlorophenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-chlorophenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C15H16ClN4S+ MolecularWeight: 319.83234

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H15ClN4S/c16-13-4-1-5-14(7-13)20-11-19(10-18-15(20)21)9-12-3-2-6-17-8-12/h1-8H,9-11H2,(H,18,21)/p+1