1-(4-ethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(4-ethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(4-ethylphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(4-ethylphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(4-ethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(4-ethylphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C17H20N4S/c1-2-14-5-7-16(8-6-14)21-13-20(12-19-17(21)22)11-15-4-3-9-18-10-15/h3-10H,2,11-13H2,1H3,(H,19,22)/p+1