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

Systemtic Name: (2S)-N-[(2S)-3-methylbutan-2-yl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(1S)-1,2-dimethylpropyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(2S)-3-methylbutan-2-yl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(2S)-3-methylbutan-2-yl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[(1S)-1,2-dimethylpropyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C12H26N3O+ MolecularWeight: 228.35434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C(C)[NH+]1CCNCC1

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)[C@H](C)[NH+]1CCNCC1

InChI

InChI=1S/C12H25N3O/c1-9(2)10(3)14-12(16)11(4)15-7-5-13-6-8-15/h9-11,13H,5-8H2,1-4H3,(H,14,16)/p+1/t10-,11-/m0/s1