1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylate Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCC(CC1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCC(CC1)C(=O)[O-]

InChI

InChI=1S/C12H22N2O3/c1-3-9(2)13-11(15)8-14-6-4-10(5-7-14)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t9-/m0/s1