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

Systemtic Name: 5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C9H13N4S+ MolecularWeight: 209.29132

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NC[NH+]1CC2=CN=CC=C2

Isomeric SMILES

C1NC(=S)NC[NH+]1CC2=CN=CC=C2

InChI

InChI=1S/C9H12N4S/c14-9-11-6-13(7-12-9)5-8-2-1-3-10-4-8/h1-4H,5-7H2,(H2,11,12,14)/p+1