2-morpholin-4-ium-4-yl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide chloride

Systemtic Name: 2-morpholin-4-ium-4-yl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide chloride Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-morpholin-4-ium-4-yl-acetamide chloride CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(4-morpholin-4-iumyl)acetamide chloride IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ium-4-ylacetamide chloride Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-morpholin-4-ium-4-yl-acetamide chloride Formula: C13H18ClN3O5 MolecularWeight: 331.75212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C13H17N3O5.ClH/c17-12-2-1-11(16(19)20)7-10(12)8-14-13(18)9-15-3-5-21-6-4-15;/h1-2,7,17H,3-6,8-9H2,(H,14,18);1H