2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C18H28FN4O2+ MolecularWeight: 351.438923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O2/c1-14(2)7-8-20-18(25)21-17(24)13-22-9-11-23(12-10-22)16-5-3-15(19)4-6-16/h3-6,14H,7-13H2,1-2H3,(H2,20,21,24,25)/p+1