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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-phenethylacetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-phenethylacetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C23H28FN3O3/c1-26(12-10-17-6-4-3-5-7-17)22(28)15-21-23(29)25-11-13-27(21)16-18-8-9-19(30-2)14-20(18)24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,25,29)/p+1/t21-/m1/s1