[(E)-2-[4-(3-bromanylprop-2-ynoxy)phenyl]ethenyl]-oxidanidyl-(2-oxidanylpropylimino)azanium

Systemtic Name: [(E)-2-[4-(3-bromanylprop-2-ynoxy)phenyl]ethenyl]-oxidanidyl-(2-oxidanylpropylimino)azanium Openeye Name: [(E)-2-[4-(3-bromoprop-2-ynoxy)phenyl]vinyl]-(2-hydroxypropylimino)-oxido-ammonium CAS Name: [(E)-2-[4-(3-bromoprop-2-ynoxy)phenyl]ethenyl]-(2-hydroxypropylimino)-oxidoammonium IUPAC Name: [(E)-2-[4-(3-bromoprop-2-ynoxy)phenyl]ethenyl]-(2-hydroxypropylimino)-oxidoazanium Traditional Name: [(E)-2-[4-(3-bromoprop-2-ynoxy)phenyl]vinyl]-(2-hydroxypropylimino)-oxido-ammonium Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=[N+](C=CC1=CC=C(C=C1)OCC#CBr)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3/c1-12(18)11-16-17(19)9-7-13-3-5-14(6-4-13)20-10-2-8-15/h3-7,9,12,18H,10-11H2,1H3/b9-7+,17-16?