3-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3)F)O

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3)F)O

InChI

InChI=1S/C21H26FN3O2/c1-16(26)17-7-8-20(19(22)15-17)25-13-11-24(12-14-25)10-9-21(27)23-18-5-3-2-4-6-18/h2-8,15-16,26H,9-14H2,1H3,(H,23,27)/p+1/t16-/m0/s1