5-(iodanylmethyl)-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide

Systemtic Name: 5-(iodanylmethyl)-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide Openeye Name: 5-(iodomethyl)-N-(1-phenylethyl)-4,5-dihydrothiazol-3-ium-2-amine iodide CAS Name: 5-(iodomethyl)-N-(1-phenylethyl)-4,5-dihydrothiazol-3-ium-2-amine iodide IUPAC Name: 5-(iodomethyl)-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide Traditional Name: [5-(iodomethyl)-2-thiazolin-3-ium-2-yl]-(1-phenylethyl)amine iodide Formula: C12H16I2N2S MolecularWeight: 474.14278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=[NH+]CC(S2)CI.[I-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=[NH+]CC(S2)CI.[I-]

InChI

InChI=1S/C12H15IN2S.HI/c1-9(10-5-3-2-4-6-10)15-12-14-8-11(7-13)16-12;/h2-6,9,11H,7-8H2,1H3,(H,14,15);1H