4,5-dihydro-1H-imidazol-2-yl-phenacyl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide

Systemtic Name: 4,5-dihydro-1H-imidazol-2-yl-phenacyl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide Openeye Name: 4,5-dihydro-1H-imidazol-2-yl-(5-isopropyl-1,3,4-thiadiazol-2-yl)-phenacyl-ammonium iodide CAS Name: 4,5-dihydro-1H-imidazol-2-yl-phenacyl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ammonium iodide IUPAC Name: 4,5-dihydro-1H-imidazol-2-yl-phenacyl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide Traditional Name: 2-imidazolin-2-yl-(5-isopropyl-1,3,4-thiadiazol-2-yl)-phenacyl-ammonium iodide Formula: C16H20IN5OS MolecularWeight: 457.33237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)[NH+](CC(=O)C2=CC=CC=C2)C3=NCCN3.[I-]

Isomeric SMILES

CC(C)C1=NN=C(S1)[NH+](CC(=O)C2=CC=CC=C2)C3=NCCN3.[I-]

InChI

InChI=1S/C16H19N5OS.HI/c1-11(2)14-19-20-16(23-14)21(15-17-8-9-18-15)10-13(22)12-6-4-3-5-7-12;/h3-7,11H,8-10H2,1-2H3,(H,17,18);1H