2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate

Systemtic Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Openeye Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate CAS Name: 2-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitrophenolate Traditional Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H19N3O4/c18-14-3-2-13(17(19)20)10-12(14)11-15-4-1-5-16-6-8-21-9-7-16/h2-3,10-11,18H,1,4-9H2