2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]iminomethyl]-4-nitro-phenolate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O4/c23-19-6-5-18(22(24)25)11-17(19)13-20-12-15-3-1-2-4-16(15)14-21-7-9-26-10-8-21/h1-6,11,13,23H,7-10,12,14H2