butan-2-yl-(2-iodanylethanoyl)-phenyl-(2-prop-2-enoxy-2-sulfanylidene-ethyl)azanium

Systemtic Name: butan-2-yl-(2-iodanylethanoyl)-phenyl-(2-prop-2-enoxy-2-sulfanylidene-ethyl)azanium Openeye Name: (2-allyloxy-2-thioxo-ethyl)-(2-iodoacetyl)-phenyl-sec-butyl-ammonium CAS Name: butan-2-yl-(2-iodo-1-oxoethyl)-phenyl-(2-prop-2-enoxy-2-sulfanylideneethyl)ammonium IUPAC Name: butan-2-yl-(2-iodoacetyl)-phenyl-(2-prop-2-enoxy-2-sulfanylideneethyl)azanium Traditional Name: (2-allyloxy-2-thioxo-ethyl)-(2-iodoacetyl)-phenyl-sec-butyl-ammonium Formula: C17H23INO2S+ MolecularWeight: 432.33949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](CC(=S)OCC=C)(C1=CC=CC=C1)C(=O)CI

Isomeric SMILES

CCC(C)[N+](CC(=S)OCC=C)(C1=CC=CC=C1)C(=O)CI

InChI

InChI=1S/C17H23INO2S/c1-4-11-21-17(22)13-19(14(3)5-2,16(20)12-18)15-9-7-6-8-10-15/h4,6-10,14H,1,5,11-13H2,2-3H3/q+1