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

Systemtic Name: ethyl (3S)-1-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)N[C@@](C)(C#N)C2CC2

InChI

InChI=1S/C16H25N3O3/c1-3-22-15(21)12-5-4-8-19(9-12)10-14(20)18-16(2,11-17)13-6-7-13/h12-13H,3-10H2,1-2H3,(H,18,20)/p+1/t12-,16-/m0/s1