N'-(4-chlorophenyl)-5-oxidanylidene-3-(1-oxidanyl-3-phenyl-propan-2-yl)-1,2,3-oxadiazol-3-ium-2-carboximidamide

Systemtic Name: N'-(4-chlorophenyl)-5-oxidanylidene-3-(1-oxidanyl-3-phenyl-propan-2-yl)-1,2,3-oxadiazol-3-ium-2-carboximidamide Openeye Name: 3-(1-benzyl-2-hydroxy-ethyl)-N'-(4-chlorophenyl)-5-oxo-oxadiazol-3-ium-2-carboxamidine CAS Name: N'-(4-chlorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)-5-oxo-2-oxadiazol-3-iumcarboximidamide IUPAC Name: N'-(4-chlorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)-5-oxooxadiazol-3-ium-2-carboximidamide Traditional Name: 3-(1-benzyl-2-hydroxy-ethyl)-N'-(4-chlorophenyl)-5-keto-oxadiazol-3-ium-2-carboxamidine Formula: C18H18ClN4O3+ MolecularWeight: 373.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)[N+]2=CC(=O)ON2C(=NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)[N+]2=CC(=O)ON2C(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H18ClN4O3/c19-14-6-8-15(9-7-14)21-18(20)23-22(11-17(25)26-23)16(12-24)10-13-4-2-1-3-5-13/h1-9,11,16,24H,10,12H2,(H2,20,21)/q+1