N-tert-butyl-2-[4-[1-(4-fluorophenyl)cyclopropyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[1-(4-fluorophenyl)cyclopropyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[1-(4-fluorophenyl)cyclopropyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29FN3O2+ MolecularWeight: 362.461563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O2/c1-19(2,3)22-17(25)14-23-10-12-24(13-11-23)18(26)20(8-9-20)15-4-6-16(21)7-5-15/h4-7H,8-14H2,1-3H3,(H,22,25)/p+1