(2S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3-methylbutanoate IUPAC Name: (2S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butyrate Formula: C12H23NO2 MolecularWeight: 213.31652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO2/c1-8(2)11(12(14)15)13-9(3)6-5-7-10(13)4/h8-11H,5-7H2,1-4H3,(H,14,15)/t9-,10+,11-/m0/s1