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

Systemtic Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCNCC2

InChI

InChI=1S/C15H22FN3O/c1-12(19-10-8-17-9-11-19)15(20)18-7-6-13-2-4-14(16)5-3-13/h2-5,12,17H,6-11H2,1H3,(H,18,20)/p+1/t12-/m0/s1