(2R)-N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H28FN4O2+ MolecularWeight: 351.438923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O2/c1-13(16(24)20-17(25)21-18(2,3)4)22-9-11-23(12-10-22)15-7-5-14(19)6-8-15/h5-8,13H,9-12H2,1-4H3,(H2,20,21,24,25)/p+1/t13-/m1/s1