2-[(2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide Openeye Name: N-allyl-2-[(2R)-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-prop-2-enyl-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide Traditional Name: N-allyl-2-[(2R)-1-(2-chloro-6-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C19H22ClFN3O2+ MolecularWeight: 378.848283

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)CC1C(=O)NCC[NH+]1CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C=CCN(CC#C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H21ClFN3O2/c1-3-9-23(10-4-2)18(25)12-17-19(26)22-8-11-24(17)13-14-15(20)6-5-7-16(14)21/h1,4-7,17H,2,8-13H2,(H,22,26)/p+1/t17-/m1/s1