3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine iodide

Systemtic Name: 3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine iodide Openeye Name: 3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine iodide CAS Name: 3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine iodide IUPAC Name: 3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine iodide Traditional Name: (3-hexyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-yl)amine iodide Formula: C15H22IN3S MolecularWeight: 403.32475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N.[I-]

Isomeric SMILES

CCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N.[I-]

InChI

InChI=1S/C15H21N3S.HI/c1-2-3-4-8-11-18-15(16)19-12-14(17-18)13-9-6-5-7-10-13;/h5-7,9-10,16H,2-4,8,11-12H2,1H3;1H