3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoate Openeye Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoate CAS Name: 3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanoate IUPAC Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoate Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionate Formula: C10H19NO2 MolecularWeight: 185.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)[O-])C

InChI

InChI=1S/C10H19NO2/c1-8-5-9(2)7-11(6-8)4-3-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1