N-butyl-2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[3-[5-(2-fluorophenyl)-2-furyl]propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[3-[5-(2-fluorophenyl)-2-furanyl]-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[3-[5-(2-fluorophenyl)-2-furyl]propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H31FN3O3+ MolecularWeight: 416.508943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3F

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3F

InChI

InChI=1S/C23H30FN3O3/c1-2-3-12-25-22(28)17-26-13-15-27(16-14-26)23(29)11-9-18-8-10-21(30-18)19-6-4-5-7-20(19)24/h4-8,10H,2-3,9,11-17H2,1H3,(H,25,28)/p+1