2-[(3S,5R)-5-methylpiperidin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[(3S,5R)-5-methylpiperidin-1-ium-3-yl]ethanoate Openeye Name: 2-[(3S,5R)-5-methylpiperidin-1-ium-3-yl]acetate CAS Name: 2-[(3S,5R)-5-methyl-3-piperidin-1-iumyl]acetate IUPAC Name: 2-[(3S,5R)-5-methylpiperidin-1-ium-3-yl]acetate Traditional Name: 2-[(3S,5R)-5-methylpiperidin-1-ium-3-yl]acetate Formula: C8H15NO2 MolecularWeight: 157.2102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH2+]C1)CC(=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@H](C[NH2+]C1)CC(=O)[O-]

InChI

InChI=1S/C8H15NO2/c1-6-2-7(3-8(10)11)5-9-4-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1