[4-(3-iodanylprop-2-ynoxy)phenyl]-oxidanidyl-[(2S,3R)-3-oxidanylbutan-2-yl]imino-azanium

Systemtic Name: [4-(3-iodanylprop-2-ynoxy)phenyl]-oxidanidyl-[(2S,3R)-3-oxidanylbutan-2-yl]imino-azanium Openeye Name: [(1S,2R)-2-hydroxy-1-methyl-propyl]imino-[4-(3-iodoprop-2-ynoxy)phenyl]-oxido-ammonium CAS Name: [(2S,3R)-3-hydroxybutan-2-yl]imino-[4-(3-iodoprop-2-ynoxy)phenyl]-oxidoammonium IUPAC Name: [(2S,3R)-3-hydroxybutan-2-yl]imino-[4-(3-iodoprop-2-ynoxy)phenyl]-oxidoazanium Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-propyl]imino-[4-(3-iodoprop-2-ynoxy)phenyl]-oxido-ammonium Formula: C13H15IN2O3 MolecularWeight: 374.17427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@@H](C)O)N=[N+](C1=CC=C(C=C1)OCC#CI)[O-]

InChI

InChI=1S/C13H15IN2O3/c1-10(11(2)17)15-16(18)12-4-6-13(7-5-12)19-9-3-8-14/h4-7,10-11,17H,9H2,1-2H3/t10-,11+/m0/s1