2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-(4-fluorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2/c23-20-9-6-18(7-10-20)8-11-22(28)26-14-12-25(13-15-26)17-21(27)24-16-19-4-2-1-3-5-19/h1-7,9-10H,8,11-17H2,(H,24,27)/p+1