2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-(4-morpholin-4-iumylmethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c29-25-22(15-21(16-24(25)28(30)31)14-19-4-2-1-3-5-19)17-26-23-8-6-20(7-9-23)18-27-10-12-32-13-11-27/h1-9,15-17,29H,10-14,18H2