5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C11H16N3S+ MolecularWeight: 222.32984

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NC[NH+]1CCC2=CC=CC=C2

Isomeric SMILES

C1NC(=S)NC[NH+]1CCC2=CC=CC=C2

InChI

InChI=1S/C11H15N3S/c15-11-12-8-14(9-13-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,13,15)/p+1