N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24FN4O+ MolecularWeight: 331.407763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C18H23FN4O/c1-18(13-20,14-6-7-14)21-17(24)12-22-8-10-23(11-9-22)16-5-3-2-4-15(16)19/h2-5,14H,6-12H2,1H3,(H,21,24)/p+1/t18-/m0/s1