(2S)-2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(2-chloro-4-fluoro-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(2-chloro-4-fluorophenoxy)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(2-chloro-4-fluorophenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(2-chloro-4-fluoro-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C15H21ClFN2O2+ MolecularWeight: 315.790843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C15H20ClFN2O2/c1-3-18-6-8-19(9-7-18)15(20)11(2)21-14-5-4-12(17)10-13(14)16/h4-5,10-11H,3,6-9H2,1-2H3/p+1/t11-/m0/s1