(2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O/c1-15(20(26)23-19-5-3-2-4-16(19)14-22)24-10-12-25(13-11-24)18-8-6-17(21)7-9-18/h2-9,15H,10-13H2,1H3,(H,23,26)/p+1/t15-/m1/s1