(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H25FN3O+ MolecularWeight: 354.441103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H24FN3O/c22-18-8-4-5-9-19(18)24-12-14-25(15-13-24)20(16-6-2-1-3-7-16)21(26)23-17-10-11-17/h1-9,17,20H,10-15H2,(H,23,26)/p+1/t20-/m0/s1