(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C16H22ClFN3O+ MolecularWeight: 326.816783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=C(C=CC=C2Cl)F)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C2=C(C=CC=C2Cl)F)C(=O)N3CCNCC3

InChI

InChI=1S/C16H21ClFN3O/c17-12-4-3-5-13(18)14(12)15(20-8-1-2-9-20)16(22)21-10-6-19-7-11-21/h3-5,15,19H,1-2,6-11H2/p+1/t15-/m0/s1