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

Systemtic Name: 3-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C14H18Cl3N2O+ MolecularWeight: 336.66452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH+]2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](C(Cl)(Cl)Cl)[NH+]2CCCC2

InChI

InChI=1S/C14H17Cl3N2O/c1-10-5-4-6-11(9-10)12(20)18-13(14(15,16)17)19-7-2-3-8-19/h4-6,9,13H,2-3,7-8H2,1H3,(H,18,20)/p+1/t13-/m0/s1