1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyanophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyanophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumamine; 3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyanophenolate Traditional Name: [1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]amine; 3-cyanophenolate Formula: C26H24N3O6P MolecularWeight: 505.459021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)N)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)N)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

InChI

InChI=1S/C19H19N2O5P.C7H5NO/c1-23-16-3-7-18(8-4-16)25-27(22,21-13-11-15(20)12-14-21)26-19-9-5-17(24-2)6-10-19;8-5-6-2-1-3-7(9)4-6/h3-14,20H,1-2H3;1-4,9H