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

Systemtic Name: 1-(furan-2-ylmethyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(2-furylmethyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-furanylmethyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(furan-2-ylmethyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(2-furfuryl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C14H17N4OS+ MolecularWeight: 289.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C14H16N4OS/c20-14-16-10-17(8-12-3-1-5-15-7-12)11-18(14)9-13-4-2-6-19-13/h1-7H,8-11H2,(H,16,20)/p+1