[(E)-2-[3-(3-iodanylprop-2-ynoxy)phenyl]prop-1-enyl]-oxidanidyl-(2-oxidanylidenebutylimino)azanium

Systemtic Name: [(E)-2-[3-(3-iodanylprop-2-ynoxy)phenyl]prop-1-enyl]-oxidanidyl-(2-oxidanylidenebutylimino)azanium Openeye Name: [(E)-2-[3-(3-iodoprop-2-ynoxy)phenyl]prop-1-enyl]-oxido-(2-oxobutylimino)ammonium CAS Name: [(E)-2-[3-(3-iodoprop-2-ynoxy)phenyl]prop-1-enyl]-oxido-(2-oxobutylimino)ammonium IUPAC Name: [(E)-2-[3-(3-iodoprop-2-ynoxy)phenyl]prop-1-enyl]-oxido-(2-oxobutylimino)azanium Traditional Name: [(E)-2-[3-(3-iodoprop-2-ynoxy)phenyl]prop-1-enyl]-(2-ketobutylimino)-oxido-ammonium Formula: C16H17IN2O3 MolecularWeight: 412.22225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN=[N+](C=C(C)C1=CC(=CC=C1)OCC#CI)[O-]

Isomeric SMILES

CCC(=O)CN=[N+](/C=C(\C)/C1=CC(=CC=C1)OCC#CI)[O-]

InChI

InChI=1S/C16H17IN2O3/c1-3-15(20)11-18-19(21)12-13(2)14-6-4-7-16(10-14)22-9-5-8-17/h4,6-7,10,12H,3,9,11H2,1-2H3/b13-12+,19-18?