N'-[3-[2-(4-hydroxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate

Systemtic Name: N'-[3-[2-(4-hydroxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Openeye Name: N'-[3-[2-(4-hydroxyphenyl)ethyl]oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate CAS Name: N'-[3-[2-(4-hydroxyphenyl)ethyl]-5-oxadiazol-3-iumyl]-N-phenylcarbamimidate IUPAC Name: N'-[3-[2-(4-hydroxyphenyl)ethyl]oxadiazol-3-ium-5-yl]-N-phenylcarbamimidate Traditional Name: N'-[3-[2-(4-hydroxyphenyl)ethyl]oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=C[N+](=NO2)CCC3=CC=C(C=C3)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N/C(=N\C2=C[N+](=NO2)CCC3=CC=C(C=C3)O)/[O-]

InChI

InChI=1S/C17H16N4O3/c22-15-8-6-13(7-9-15)10-11-21-12-16(24-20-21)19-17(23)18-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2-,18,19,20,22,23)