(2S)-2-piperazin-4-ium-1-yl-N-pyridin-2-yl-propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-pyridin-2-yl-propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(2-pyridyl)propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(2-pyridinyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-pyridin-2-ylpropanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(2-pyridyl)propionamide Formula: C12H19N4O+ MolecularWeight: 235.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=N1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=N1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H18N4O/c1-10(16-8-6-13-7-9-16)12(17)15-11-4-2-3-5-14-11/h2-5,10,13H,6-9H2,1H3,(H,14,15,17)/p+1/t10-/m0/s1