5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]pentanoate Openeye Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]pentanoate CAS Name: 5-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]pentanoate IUPAC Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]pentanoate Traditional Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]valerate Formula: C12H23NO2 MolecularWeight: 213.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCCC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11-/m0/s1