5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-2-nitro-phenolate Openeye Name: 5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]-2-nitro-phenolate CAS Name: 5-[[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]-2-nitro-phenolate Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N4O5/c22-15-9-13(2-3-14(15)21(24)25)17(23)19-11-12-1-4-16(18-10-12)20-5-7-26-8-6-20/h1-4,9-10,22H,5-8,11H2,(H,19,23)