(2S)-2-[2-(azepan-1-ium-1-yl)ethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]propionate Formula: C11H20N2O3 MolecularWeight: 228.2881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C[NH+]1CCCCCC1

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C[NH+]1CCCCCC1

InChI

InChI=1S/C11H20N2O3/c1-9(11(15)16)12-10(14)8-13-6-4-2-3-5-7-13/h9H,2-8H2,1H3,(H,12,14)(H,15,16)/t9-/m0/s1