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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3S/c1-2-3-9-16-11-15-14(18)17(12-16)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,15,18)/p+1