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

Systemtic Name: 5-(4-phenylbutyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(4-phenylbutyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(4-phenylbutyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(4-phenylbutyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(4-phenylbutyl)-1,3,5-triazinan-5-ium-2-thione Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NC[NH+]1CCCCC2=CC=CC=C2

Isomeric SMILES

C1NC(=S)NC[NH+]1CCCCC2=CC=CC=C2

InChI

InChI=1S/C13H19N3S/c17-13-14-10-16(11-15-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,14,15,17)/p+1