1-(6-methylpyridin-2-yl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(6-methylpyridin-2-yl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(6-methyl-2-pyridyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(6-methyl-2-pyridinyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(6-methylpyridin-2-yl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(6-methyl-2-pyridyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4S/c1-13-6-5-9-15(18-13)20-12-19(11-17-16(20)21)10-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,17,21)/p+1