(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-chloro-6-fluoro-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chloro-6-fluorophenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H21ClFN2O+ MolecularWeight: 359.844943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H20ClFN2O/c1-23-12-13-24(19(14-23)15-6-3-2-4-7-15)20(25)11-10-16-17(21)8-5-9-18(16)22/h2-11,19H,12-14H2,1H3/p+1/b11-10+/t19-/m0/s1