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

Systemtic Name: 1-(2-methylpropyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-isobutyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-methylpropyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2-methylpropyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-isobutyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C[NH+](CNC1=S)CC2=CN=CC=C2

Isomeric SMILES

CC(C)CN1C[NH+](CNC1=S)CC2=CN=CC=C2

InChI

InChI=1S/C13H20N4S/c1-11(2)7-17-10-16(9-15-13(17)18)8-12-4-3-5-14-6-12/h3-6,11H,7-10H2,1-2H3,(H,15,18)/p+1