(2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoate

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoate Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-3-methyl-butanoate CAS Name: (2S)-2-(1-azepan-1-iumyl)-3-methylbutanoate IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-3-methyl-butyrate Formula: C11H21NO2 MolecularWeight: 199.28994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO2/c1-9(2)10(11(13)14)12-7-5-3-4-6-8-12/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1