(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O/c1-17(21(26)23(2)19-9-4-3-5-10-19)25-14-12-24(13-15-25)16-18-8-6-7-11-20(18)22/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m1/s1