(2R)-N-(2-fluorophenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-fluorophenyl)-2-(4-isovalerylpiperazin-1-ium-1-yl)propionamide Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C18H26FN3O2/c1-13(2)12-17(23)22-10-8-21(9-11-22)14(3)18(24)20-16-7-5-4-6-15(16)19/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)/p+1/t14-/m1/s1