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

Systemtic Name: 1-butyl-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-butyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-butyl-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-butyl-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-butyl-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:

CCCCN1C[NH+](CNC1=S)CC2=CN=CC=C2

Isomeric SMILES

CCCCN1C[NH+](CNC1=S)CC2=CN=CC=C2

InChI

InChI=1S/C13H20N4S/c1-2-3-7-17-11-16(10-15-13(17)18)9-12-5-4-6-14-8-12/h4-6,8H,2-3,7,9-11H2,1H3,(H,15,18)/p+1