5-(3-imidazol-1-ylpropyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(3-imidazol-1-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(3-imidazol-1-ylpropyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[3-(1-imidazolyl)propyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(3-imidazol-1-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(3-imidazol-1-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Formula: C9H16N5S+ MolecularWeight: 226.32184

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NC[NH+]1CCCN2C=CN=C2

Isomeric SMILES

C1NC(=S)NC[NH+]1CCCN2C=CN=C2

InChI

InChI=1S/C9H15N5S/c15-9-11-7-14(8-12-9)4-1-3-13-5-2-10-6-13/h2,5-6H,1,3-4,7-8H2,(H2,11,12,15)/p+1