2-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3)F)O

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3)F)O

InChI

InChI=1S/C21H26FN3O2/c1-16(26)17-8-9-20(19(22)14-17)25-12-10-24(11-13-25)15-21(27)23(2)18-6-4-3-5-7-18/h3-9,14,16,26H,10-13,15H2,1-2H3/p+1/t16-/m0/s1