(2S)-2-piperazin-1-ium-1-yl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-piperazin-1-ium-1-yl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: (2S)-2-piperazin-1-ium-1-yl-N-(2-pyridylmethyl)propanamide CAS Name: (2S)-2-(1-piperazin-1-iumyl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-piperazin-1-ium-1-yl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: (2S)-2-piperazin-1-ium-1-yl-N-(2-pyridylmethyl)propionamide Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=N1)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=N1)[NH+]2CCNCC2

InChI

InChI=1S/C13H20N4O/c1-11(17-8-6-14-7-9-17)13(18)16-10-12-4-2-3-5-15-12/h2-5,11,14H,6-10H2,1H3,(H,16,18)/p+1/t11-/m0/s1