2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate

Systemtic Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate Openeye Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitro-phenolate CAS Name: 2-[3-(4-morpholin-4-iumyl)propyliminomethyl]-6-nitrophenolate IUPAC Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-nitrophenolate Traditional Name: 2-(3-morpholin-4-ium-4-ylpropyliminomethyl)-6-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/c18-14-12(3-1-4-13(14)17(19)20)11-15-5-2-6-16-7-9-21-10-8-16/h1,3-4,11,18H,2,5-10H2