1-(4-methylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(4-methylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(p-tolyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(4-methylphenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(4-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(p-tolyl)-1,3,5-triazinan-5-ium-2-thione Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3S/c1-14-7-9-16(10-8-14)20-13-19(12-18-17(20)21)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,21)/p+1