N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3F

InChI

InChI=1S/C23H28FN3O2/c1-17-6-5-7-18(2)23(17)25-21(28)16-26-12-14-27(15-13-26)22(29)11-10-19-8-3-4-9-20(19)24/h3-9H,10-16H2,1-2H3,(H,25,28)/p+1