N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C13H18ClFN3O+ MolecularWeight: 286.752923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H17ClFN3O/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-12(15)11(14)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)/p+1