diethyl-[2-(4-isothiocyanatophenyl)carbonyloxyethyl]-methyl-azanium iodide

Systemtic Name: diethyl-[2-(4-isothiocyanatophenyl)carbonyloxyethyl]-methyl-azanium iodide Openeye Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methyl-ammonium iodide CAS Name: diethyl-[2-[(4-isothiocyanatophenyl)-oxomethoxy]ethyl]-methylammonium iodide IUPAC Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methylazanium iodide Traditional Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methyl-ammonium iodide Formula: C15H21IN2O2S MolecularWeight: 420.30891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S.[I-]

InChI

InChI=1S/C15H21N2O2S.HI/c1-4-17(3,5-2)10-11-19-15(18)13-6-8-14(9-7-13)16-12-20;/h6-9H,4-5,10-11H2,1-3H3;1H/q+1;/p-1