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

Systemtic Name: methyl 2-[(2S,5S,6S)-6-methyl-5-oxidanyl-piperidin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S,5S,6S)-5-hydroxy-6-methyl-piperidin-1-ium-2-yl]acetate CAS Name: 2-[(2S,5S,6S)-5-hydroxy-6-methyl-2-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-1-ium-2-yl]acetate Traditional Name: 2-[(2S,5S,6S)-5-hydroxy-6-methyl-piperidin-1-ium-2-yl]acetic acid methyl ester Formula: C9H18NO3+ MolecularWeight: 188.24412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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