(2S)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Openeye Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)propanamide CAS Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)propanamide IUPAC Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Traditional Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)propionamide Formula: C20H25FN3O3+ MolecularWeight: 374.429203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H24FN3O3/c1-14(20(26)22-13-17-4-3-11-27-17)23-7-9-24(10-8-23)19-6-5-16(15(2)25)12-18(19)21/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26)/p+1/t14-/m0/s1