N-ethyl-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylprop-2-enyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylprop-2-enyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylallyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-methylprop-2-enyl)acetamide IUPAC Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methylprop-2-enyl)acetamide Traditional Name: N-ethyl-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-methylallyl)acetamide Formula: C20H29FN3O3+ MolecularWeight: 378.460963

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CC1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

Isomeric SMILES

CCN(CC(=C)C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C20H28FN3O3/c1-5-23(12-14(2)3)19(25)11-18-20(26)22-8-9-24(18)13-15-6-7-16(27-4)10-17(15)21/h6-7,10,18H,2,5,8-9,11-13H2,1,3-4H3,(H,22,26)/p+1/t18-/m1/s1