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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H26FN4O2+ MolecularWeight: 337.412343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O2/c1-17(2,3)20-16(24)19-15(23)12-21-8-10-22(11-9-21)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3,(H2,19,20,23,24)/p+1