(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H25FN4O/c1-16(20(26)23-11-9-17-5-7-18(21)8-6-17)24-12-14-25(15-13-24)19-4-2-3-10-22-19/h2-8,10,16H,9,11-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1