methyl 2-[(2S,5S,6S)-6-methyl-5-oxidanyl-piperidin-1-ium-2-yl]ethanoate chloride

Systemtic Name: methyl 2-[(2S,5S,6S)-6-methyl-5-oxidanyl-piperidin-1-ium-2-yl]ethanoate chloride Openeye Name: methyl 2-[(2S,5S,6S)-5-hydroxy-6-methyl-piperidin-1-ium-2-yl]acetate chloride CAS Name: 2-[(2S,5S,6S)-5-hydroxy-6-methyl-2-piperidin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl 2-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-1-ium-2-yl]acetate chloride Traditional Name: 2-[(2S,5S,6S)-5-hydroxy-6-methyl-piperidin-1-ium-2-yl]acetic acid methyl ester chloride Formula: C9H18ClNO3 MolecularWeight: 223.69712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC([NH2+]1)CC(=O)OC)O.[Cl-]

Isomeric SMILES

C[C@H]1[C@H](CC[C@H]([NH2+]1)CC(=O)OC)O.[Cl-]

InChI

InChI=1S/C9H17NO3.ClH/c1-6-8(11)4-3-7(10-6)5-9(12)13-2;/h6-8,10-11H,3-5H2,1-2H3;1H/t6-,7-,8-;/m0./s1