N'-[3-(6-oxidanyl-6-oxidanylidene-hexyl)-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate

Systemtic Name: N'-[3-(6-oxidanyl-6-oxidanylidene-hexyl)-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Openeye Name: N'-[3-(6-hydroxy-6-oxo-hexyl)oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate CAS Name: N'-[3-(6-hydroxy-6-oxohexyl)-5-oxadiazol-3-iumyl]-N-phenylcarbamimidate IUPAC Name: N'-[3-(6-hydroxy-6-oxohexyl)oxadiazol-3-ium-5-yl]-N-phenylcarbamimidate Traditional Name: N'-[3-(6-hydroxy-6-keto-hexyl)oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c20-14(21)9-5-2-6-10-19-11-13(23-18-19)17-15(22)16-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2-,16,17,18,20,21,22)