4-[[4-[(E)-(2-morpholin-4-ium-4-ylethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-(2-morpholin-4-ium-4-ylethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-[(2-morpholin-4-ium-4-ylacetyl)hydrazono]methyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-[(2-morpholin-4-ium-4-ylacetyl)hydrazono]methyl]phenoxy]methyl]benzoate Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-20(14-24-9-11-28-12-10-24)23-22-13-16-3-7-19(8-4-16)29-15-17-1-5-18(6-2-17)21(26)27/h1-8,13H,9-12,14-15H2,(H,23,25)(H,26,27)/b22-13+