(2R)-N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-fluoro-4-methyl-phenyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)propionamide Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)C(=O)C(C)C)F

InChI

InChI=1S/C18H26FN3O2/c1-12(2)18(24)22-9-7-21(8-10-22)14(4)17(23)20-15-6-5-13(3)16(19)11-15/h5-6,11-12,14H,7-10H2,1-4H3,(H,20,23)/p+1/t14-/m1/s1