oxidanidyl-[(2S,3R)-3-oxidanylbutan-2-yl]imino-(4-prop-2-ynoxyphenyl)azanium

Systemtic Name: oxidanidyl-[(2S,3R)-3-oxidanylbutan-2-yl]imino-(4-prop-2-ynoxyphenyl)azanium Openeye Name: [(1S,2R)-2-hydroxy-1-methyl-propyl]imino-oxido-(4-prop-2-ynoxyphenyl)ammonium CAS Name: [(2S,3R)-3-hydroxybutan-2-yl]imino-oxido-(4-prop-2-ynoxyphenyl)ammonium IUPAC Name: [(2S,3R)-3-hydroxybutan-2-yl]imino-oxido-(4-prop-2-ynoxyphenyl)azanium Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-propyl]imino-oxido-(4-propargyloxyphenyl)ammonium Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-4-9-18-13-7-5-12(6-8-13)15(17)14-10(2)11(3)16/h1,5-8,10-11,16H,9H2,2-3H3/t10-,11+/m0/s1