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

Systemtic Name: N-methyl-N-oxidanyl-N'-phenyl-benzenecarboximidamide; oxolan-1-ium; tris(chloranyl)zirconium Openeye Name: N-hydroxy-N-methyl-N'-phenyl-benzamidine; tetrahydrofuran-1-ium; trichlorozirconium CAS Name: N-hydroxy-N-methyl-N'-phenylbenzenecarboximidamide; oxolan-1-ium; trichlorozirconium IUPAC Name: N-hydroxy-N-methyl-N'-phenylbenzenecarboximidamide; oxolan-1-ium; trichlorozirconium Traditional Name: N-hydroxy-N-methyl-N'-phenyl-benzamidine; tetrahydrofuran-1-ium; trichlorozirconium Formula: C18H23Cl3N2O2Zr+ MolecularWeight: 496.97042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O.C4H8O.3ClH.Zr/c1-16(17)14(12-8-4-2-5-9-12)15-13-10-6-3-7-11-13;1-2-4-5-3-1;;;;/h2-11,17H,1H3;1-4H2;3*1H;/q;;;;;+3/p-2