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

Systemtic Name: 4-bromanyl-N-[(1S)-2,2,2-tris(chloranyl)-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-bromo-N-[(1S)-2,2,2-trichloro-1-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-bromo-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-bromo-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C13H15BrCl3N2O+ MolecularWeight: 401.534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrCl3N2O/c14-10-5-3-9(4-6-10)11(20)18-12(13(15,16)17)19-7-1-2-8-19/h3-6,12H,1-2,7-8H2,(H,18,20)/p+1/t12-/m0/s1