N-butyl-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-butyl-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-butyl-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-butyl-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-butyl-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-butyl-2-[(2R)-1-(2-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2F

Isomeric SMILES

CCCCN(C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2F

InChI

InChI=1S/C18H26FN3O2/c1-3-4-10-21(2)17(23)12-16-18(24)20-9-11-22(16)13-14-7-5-6-8-15(14)19/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24)/p+1/t16-/m1/s1