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

Systemtic Name: 5-ethyl-1-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-benzyl-5-ethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-ethyl-1-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-benzyl-5-ethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-benzyl-5-ethyl-1,3,5-triazinan-5-ium-2-thione Formula: C12H18N3S+ MolecularWeight: 236.35642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CNC(=S)N(C1)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CNC(=S)N(C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H17N3S/c1-2-14-9-13-12(16)15(10-14)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,16)/p+1