4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoate

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoate Openeye Name: 4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoate CAS Name: 4-[(2S)-2-methyl-1-piperidin-1-iumyl]butanoate IUPAC Name: 4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoate Traditional Name: 4-[(2S)-2-methylpiperidin-1-ium-1-yl]butyrate Formula: C10H19NO2 MolecularWeight: 185.26336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO2/c1-9-5-2-3-7-11(9)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1