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

Systemtic Name: 1-(2-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(2-ethoxyphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-ethoxyphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-o-phenetyl-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2C[NH+](CNC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C17H20N4OS/c1-2-22-16-8-4-3-7-15(16)21-13-20(12-19-17(21)23)11-14-6-5-9-18-10-14/h3-10H,2,11-13H2,1H3,(H,19,23)/p+1