(2R)-1-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C16H28N2O3 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C)(C)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1C(C)(C)C(=O)N2CCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H28N2O3/c1-4-12-8-5-6-11-18(12)16(2,3)15(21)17-10-7-9-13(17)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)/t12-,13+/m0/s1