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

Systemtic Name: 3-nitro-N-[(1S)-2,2,2-tris(chloranyl)-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C13H15Cl3N3O3+ MolecularWeight: 367.6355

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14Cl3N3O3/c14-13(15,16)12(18-6-1-2-7-18)17-11(20)9-4-3-5-10(8-9)19(21)22/h3-5,8,12H,1-2,6-7H2,(H,17,20)/p+1/t12-/m0/s1