2-[(3S,4S)-4-methylpiperidin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[(3S,4S)-4-methylpiperidin-1-ium-3-yl]ethanoate Openeye Name: 2-[(3S,4S)-4-methylpiperidin-1-ium-3-yl]acetate CAS Name: 2-[(3S,4S)-4-methyl-3-piperidin-1-iumyl]acetate IUPAC Name: 2-[(3S,4S)-4-methylpiperidin-1-ium-3-yl]acetate Traditional Name: 2-[(3S,4S)-4-methylpiperidin-1-ium-3-yl]acetate Formula: C8H15NO2 MolecularWeight: 157.2102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH2+]CC1CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO2/c1-6-2-3-9-5-7(6)4-8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1