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

Systemtic Name: 1-(phenylmethyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-benzyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(phenylmethyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-benzyl-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-benzyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4S/c21-16-18-12-19(10-15-7-4-8-17-9-15)13-20(16)11-14-5-2-1-3-6-14/h1-9H,10-13H2,(H,18,21)/p+1