(2S)-N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-fluorobenzyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C14H21FN3O+ MolecularWeight: 266.334443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)F)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=CC=C1)F)[NH+]2CCNCC2

InChI

InChI=1S/C14H20FN3O/c1-11(18-7-5-16-6-8-18)14(19)17-10-12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,19)/p+1/t11-/m0/s1