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

Systemtic Name: 1-(2-methylpropyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-isobutyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2-methylpropyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(2-methylpropyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-isobutyl-1,3,5-triazinan-5-ium-2-thione Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C[NH+](CNC1=S)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C[NH+](CNC1=S)CC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c1-12(2)8-17-11-16(10-15-14(17)18)9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,18)/p+1