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

Systemtic Name: (2R)-N-(diphenylmethyl)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzhydryl-propanamide CAS Name: (2R)-2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(diphenylmethyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-benzhydrylpropanamide Traditional Name: (2R)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-benzhydryl-propionamide Formula: C28H31FN3O2+ MolecularWeight: 460.563043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C28H30FN3O2/c1-20(28(34)30-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23)31-15-17-32(18-16-31)26-14-13-24(21(2)33)19-25(26)29/h3-14,19-20,27H,15-18H2,1-2H3,(H,30,34)/p+1/t20-/m1/s1