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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-isovalerylpiperazin-1-ium-1-yl)acetamide Formula: C19H29FN3O2+ MolecularWeight: 350.450863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H28FN3O2/c1-15(2)13-19(25)23-11-9-22(10-12-23)14-18(24)21-8-7-16-3-5-17(20)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,21,24)/p+1