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

Systemtic Name: (2S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butanoyl chloride Openeye Name: (2S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butanoyl chloride CAS Name: (2S)-2-[(2S,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-3-methylbutanoyl chloride IUPAC Name: (2S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methylbutanoyl chloride Traditional Name: (2S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-butyryl chloride Formula: C12H23ClNO+ MolecularWeight: 232.77012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22ClNO/c1-8(2)11(12(13)15)14-9(3)6-5-7-10(14)4/h8-11H,5-7H2,1-4H3/p+1/t9-,10+,11-/m0/s1