N-methyl-N-oxidanyl-N'-(2-phenylphenyl)benzenecarboximidamide; oxolan-1-ium; tris(chloranyl)zirconium

Systemtic Name: N-methyl-N-oxidanyl-N'-(2-phenylphenyl)benzenecarboximidamide; oxolan-1-ium; tris(chloranyl)zirconium Openeye Name: N-hydroxy-N-methyl-N'-(2-phenylphenyl)benzamidine; tetrahydrofuran-1-ium; trichlorozirconium CAS Name: N-hydroxy-N-methyl-N'-(2-phenylphenyl)benzenecarboximidamide; oxolan-1-ium; trichlorozirconium IUPAC Name: N-hydroxy-N-methyl-N'-(2-phenylphenyl)benzenecarboximidamide; oxolan-1-ium; trichlorozirconium Traditional Name: N-hydroxy-N-methyl-N'-(2-phenylphenyl)benzamidine; tetrahydrofuran-1-ium; trichlorozirconium Formula: C24H27Cl3N2O2Zr+ MolecularWeight: 573.06638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=NC1=CC=CC=C1C2=CC=CC=C2)C3=CC=CC=C3)O.C1CC[OH+]C1.Cl[Zr](Cl)Cl

Isomeric SMILES

CN(C(=NC1=CC=CC=C1C2=CC=CC=C2)C3=CC=CC=C3)O.C1CC[OH+]C1.Cl[Zr](Cl)Cl

InChI

InChI=1S/C20H18N2O.C4H8O.3ClH.Zr/c1-22(23)20(17-12-6-3-7-13-17)21-19-15-9-8-14-18(19)16-10-4-2-5-11-16;1-2-4-5-3-1;;;;/h2-15,23H,1H3;1-4H2;3*1H;/q;;;;;+3/p-2