3-nitro-N-[(1S)-2,2,2-tris(chloranyl)-1-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 3-nitro-N-[(1S)-2,2,2-tris(chloranyl)-1-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C13H15Cl3N3O4+ MolecularWeight: 383.6349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COCC[NH+]1[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14Cl3N3O4/c14-13(15,16)12(18-4-6-23-7-5-18)17-11(20)9-2-1-3-10(8-9)19(21)22/h1-3,8,12H,4-7H2,(H,17,20)/p+1/t12-/m0/s1