(2S)-1-[2-(azepan-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-(azepan-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(azepan-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(1-azepan-1-iumyl)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(azepan-1-ium-1-yl)-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(azepan-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C15H26N2O3 MolecularWeight: 282.37854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)[O-])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)(C(=O)N1CCC[C@H]1C(=O)[O-])[NH+]2CCCCCC2

InChI

InChI=1S/C15H26N2O3/c1-15(2,16-9-5-3-4-6-10-16)14(20)17-11-7-8-12(17)13(18)19/h12H,3-11H2,1-2H3,(H,18,19)/t12-/m0/s1