N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36FN5O2+2 MolecularWeight: 421.551943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H34FN5O2/c1-22(2,3)24-20(29)16-25-10-14-28(15-11-25)21(30)17-26-8-12-27(13-9-26)19-7-5-4-6-18(19)23/h4-7H,8-17H2,1-3H3,(H,24,29)/p+2