(2R)-2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(2-chloro-4-fluoro-phenoxy)propan-1-one CAS Name: (2R)-2-(2-chloro-4-fluorophenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-(2-chloro-4-fluorophenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(2-chloro-4-fluoro-phenoxy)propan-1-one Formula: C16H21ClFN2O2+ MolecularWeight: 327.801543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=C)OC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC=C)OC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H20ClFN2O2/c1-3-6-19-7-9-20(10-8-19)16(21)12(2)22-15-5-4-13(18)11-14(15)17/h3-5,11-12H,1,6-10H2,2H3/p+1/t12-/m1/s1