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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H25FN4O/c1-19(14-21,16-6-7-16)22-18(25)13-24-10-8-23(9-11-24)12-15-4-2-3-5-17(15)20/h2-5,16H,6-13H2,1H3,(H,22,25)/p+1/t19-/m0/s1