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

Systemtic Name: (2S)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-propanamide CAS Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-benzylpropanamide Traditional Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-propionamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C22H26FN3O2/c1-16(22(28)24-15-18-6-4-3-5-7-18)25-10-12-26(13-11-25)21-9-8-19(17(2)27)14-20(21)23/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)/p+1/t16-/m0/s1