(3R)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]piperidin-1-ium-3-carboxylate Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCCC(C1)C(=O)[O-]

Isomeric SMILES

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

InChI

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