N-(4-fluorophenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(3R)-1-oxo-3-phenylbutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O2/c1-17(18-5-3-2-4-6-18)15-22(28)26-13-11-25(12-14-26)16-21(27)24-20-9-7-19(23)8-10-20/h2-10,17H,11-16H2,1H3,(H,24,27)/p+1/t17-/m1/s1